NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5353 | 1h9e | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 H2 PRO 1 -1.779 10.645 -9.339 2 H3 PRO 1 H3 PRO 1 -3.213 10.869 -10.222 3 HA PRO 1 HA PRO 1 -4.222 9.355 -8.967 4 1HB PRO 1 1HB PRO 1 -2.500 7.076 -9.206 5 2HB PRO 1 2HB PRO 1 -4.016 7.382 -10.052 6 1HG PRO 1 1HG PRO 1 -1.412 7.390 -11.137 7 2HG PRO 1 2HG PRO 1 -2.923 7.810 -11.955 8 1HD PRO 1 1HD PRO 1 -0.791 9.630 -11.020 9 2HD PRO 1 2HD PRO 1 -2.207 10.037 -12.001 10 H GLU 2 H GLU 2 -3.699 10.408 -6.954 11 HA GLU 2 HA GLU 2 -1.263 9.724 -5.509 12 1HB GLU 2 1HB GLU 2 -3.593 11.468 -5.114 13 2HB GLU 2 2HB GLU 2 -3.031 10.710 -3.623 14 1HG GLU 2 1HG GLU 2 -0.980 11.871 -5.463 15 2HG GLU 2 2HG GLU 2 -1.957 12.986 -4.507 16 H PHE 3 H PHE 3 -1.040 8.240 -3.840 17 HA PHE 3 HA PHE 3 -3.401 6.657 -2.996 18 1HB PHE 3 1HB PHE 3 -2.786 5.088 -4.595 19 2HB PHE 3 2HB PHE 3 -1.146 5.730 -4.704 20 HD1 PHE 3 HD1 PHE 3 -3.104 3.026 -3.469 21 HD2 PHE 3 HD2 PHE 3 0.412 5.344 -2.781 22 HE1 PHE 3 HE1 PHE 3 -2.147 1.176 -2.172 23 HE2 PHE 3 HE2 PHE 3 1.384 3.497 -1.530 24 HZ PHE 3 HZ PHE 3 0.103 1.358 -1.240 25 H LEU 4 H LEU 4 -2.852 5.332 -1.101 26 HA LEU 4 HA LEU 4 -1.598 6.739 0.976 27 1HB LEU 4 1HB LEU 4 -1.278 4.257 1.920 28 2HB LEU 4 2HB LEU 4 -2.884 4.946 1.735 29 HG LEU 4 HG LEU 4 -1.836 3.703 -0.704 30 1HD1 LEU 4 1HD1 LEU 4 -2.438 2.059 1.754 31 2HD1 LEU 4 2HD1 LEU 4 -2.209 1.407 0.128 32 3HD1 LEU 4 3HD1 LEU 4 -0.864 2.190 0.966 33 1HD2 LEU 4 1HD2 LEU 4 -4.309 4.259 0.658 34 2HD2 LEU 4 2HD2 LEU 4 -4.061 3.809 -1.027 35 3HD2 LEU 4 3HD2 LEU 4 -4.253 2.559 0.201 36 H GLU 5 H GLU 5 0.407 7.578 0.094 37 HA GLU 5 HA GLU 5 2.502 5.863 -0.885 38 1HB GLU 5 1HB GLU 5 2.647 8.657 0.293 39 2HB GLU 5 2HB GLU 5 3.952 7.857 -0.580 40 1HG GLU 5 1HG GLU 5 2.712 7.869 -2.636 41 2HG GLU 5 2HG GLU 5 1.218 8.275 -1.824 42 H ASP 6 H ASP 6 1.220 6.342 2.173 43 HA ASP 6 HA ASP 6 3.397 4.789 3.403 44 1HB ASP 6 1HB ASP 6 2.450 7.396 4.636 45 2HB ASP 6 2HB ASP 6 3.711 6.328 5.252 46 HA PRO 7 HA PRO 7 -0.871 3.660 4.586 47 1HB PRO 7 1HB PRO 7 -0.496 0.964 4.207 48 2HB PRO 7 2HB PRO 7 -1.014 2.074 2.932 49 1HG PRO 7 1HG PRO 7 1.636 0.799 3.354 50 2HG PRO 7 2HG PRO 7 0.891 1.382 1.858 51 1HD PRO 7 1HD PRO 7 2.912 2.712 3.356 52 2HD PRO 7 2HD PRO 7 1.957 3.417 2.035 53 H SER 8 H SER 8 0.612 4.360 6.678 54 HA SER 8 HA SER 8 1.034 1.898 8.315 55 1HB SER 8 1HB SER 8 3.063 3.141 8.282 56 2HB SER 8 2HB SER 8 2.217 4.675 8.476 57 HG SER 8 HG SER 8 2.740 2.667 10.361 58 H VAL 9 H VAL 9 -1.395 3.859 7.691 59 HA VAL 9 HA VAL 9 -2.273 3.967 10.542 60 HB VAL 9 HB VAL 9 -3.579 6.046 9.858 61 1HG1 VAL 9 1HG1 VAL 9 -1.680 5.812 7.507 62 2HG1 VAL 9 2HG1 VAL 9 -3.441 5.767 7.441 63 3HG1 VAL 9 3HG1 VAL 9 -2.614 7.258 7.893 64 1HG2 VAL 9 1HG2 VAL 9 -0.546 6.071 9.823 65 2HG2 VAL 9 2HG2 VAL 9 -1.547 7.506 10.035 66 3HG2 VAL 9 3HG2 VAL 9 -1.583 6.220 11.241 67 H LEU 10 H LEU 10 -2.850 2.623 7.557 68 HA LEU 10 HA LEU 10 -5.806 2.635 7.863 69 1HB LEU 10 1HB LEU 10 -5.301 0.973 5.700 70 2HB LEU 10 2HB LEU 10 -5.665 2.697 5.578 71 HG LEU 10 HG LEU 10 -2.846 1.664 5.951 72 1HD1 LEU 10 1HD1 LEU 10 -4.207 1.028 3.749 73 2HD1 LEU 10 2HD1 LEU 10 -3.767 2.677 3.300 74 3HD1 LEU 10 3HD1 LEU 10 -2.523 1.496 3.686 75 1HD2 LEU 10 1HD2 LEU 10 -4.066 4.227 6.040 76 2HD2 LEU 10 2HD2 LEU 10 -2.345 3.855 6.100 77 3HD2 LEU 10 3HD2 LEU 10 -3.127 4.156 4.549 78 H THR 11 H THR 11 -3.698 -0.018 6.867 79 HA THR 11 HA THR 11 -3.744 -1.804 8.928 80 HB THR 11 HB THR 11 -6.082 -1.527 9.291 81 HG1 THR 11 HG1 THR 11 -6.098 -3.622 9.309 82 1HG2 THR 11 1HG2 THR 11 -6.078 -1.250 6.345 83 2HG2 THR 11 2HG2 THR 11 -7.545 -1.932 7.058 84 3HG2 THR 11 3HG2 THR 11 -6.989 -0.318 7.542 85 H LYS 12 H LYS 12 -4.369 -4.185 7.813 86 HA LYS 12 HA LYS 12 -2.835 -4.110 5.304 87 1HB LYS 12 1HB LYS 12 -3.181 -6.011 7.420 88 2HB LYS 12 2HB LYS 12 -3.718 -6.772 5.927 89 1HG LYS 12 1HG LYS 12 -1.471 -7.205 5.675 90 2HG LYS 12 2HG LYS 12 -1.394 -5.539 5.081 91 1HD LYS 12 1HD LYS 12 0.277 -5.708 6.788 92 2HD LYS 12 2HD LYS 12 -1.077 -4.845 7.524 93 1HE LYS 12 1HE LYS 12 -0.723 -6.418 9.170 94 2HE LYS 12 2HE LYS 12 -1.817 -7.345 8.144 95 1HZ LYS 12 1HZ LYS 12 0.871 -7.561 7.248 96 2HZ LYS 12 2HZ LYS 12 0.741 -8.036 8.871 97 3HZ LYS 12 3HZ LYS 12 -0.219 -8.788 7.688 98 H ASP 13 H ASP 13 -6.005 -3.671 6.037 99 HA ASP 13 HA ASP 13 -6.967 -5.224 3.665 100 1HB ASP 13 1HB ASP 13 -7.995 -5.334 6.126 101 2HB ASP 13 2HB ASP 13 -8.879 -3.916 5.560 102 H LYS 14 H LYS 14 -6.657 -1.921 4.919 103 HA LYS 14 HA LYS 14 -8.471 -0.823 2.927 104 1HB LYS 14 1HB LYS 14 -7.869 0.184 5.176 105 2HB LYS 14 2HB LYS 14 -6.366 0.677 4.421 106 1HG LYS 14 1HG LYS 14 -9.162 1.428 3.533 107 2HG LYS 14 2HG LYS 14 -7.982 2.495 4.288 108 1HD LYS 14 1HD LYS 14 -7.773 1.199 1.565 109 2HD LYS 14 2HD LYS 14 -7.947 2.913 1.901 110 1HE LYS 14 1HE LYS 14 -5.615 1.381 3.036 111 2HE LYS 14 2HE LYS 14 -5.566 2.006 1.391 112 1HZ LYS 14 1HZ LYS 14 -6.511 4.121 2.729 113 2HZ LYS 14 2HZ LYS 14 -5.489 3.440 3.898 114 3HZ LYS 14 3HZ LYS 14 -4.868 3.873 2.380 115 H LEU 15 H LEU 15 -4.949 -0.684 3.423 116 HA LEU 15 HA LEU 15 -4.085 0.539 1.095 117 1HB LEU 15 1HB LEU 15 -2.416 -1.729 1.222 118 2HB LEU 15 2HB LEU 15 -2.100 -0.160 1.965 119 HG LEU 15 HG LEU 15 -3.244 -0.875 4.015 120 1HD1 LEU 15 1HD1 LEU 15 -4.220 -2.939 2.270 121 2HD1 LEU 15 2HD1 LEU 15 -3.360 -3.668 3.611 122 3HD1 LEU 15 3HD1 LEU 15 -4.720 -2.561 3.925 123 1HD2 LEU 15 1HD2 LEU 15 -0.779 -1.412 3.481 124 2HD2 LEU 15 2HD2 LEU 15 -1.532 -2.329 4.785 125 3HD2 LEU 15 3HD2 LEU 15 -1.337 -3.063 3.192 126 H LYS 16 H LYS 16 -5.648 -2.502 1.446 127 HA LYS 16 HA LYS 16 -5.023 -3.479 -1.209 128 1HB LYS 16 1HB LYS 16 -5.337 -5.313 0.081 129 2HB LYS 16 2HB LYS 16 -6.036 -4.347 1.356 130 1HG LYS 16 1HG LYS 16 -8.209 -4.445 0.214 131 2HG LYS 16 2HG LYS 16 -7.509 -5.488 -1.016 132 1HD LYS 16 1HD LYS 16 -7.553 -6.076 1.942 133 2HD LYS 16 2HD LYS 16 -8.658 -6.780 0.770 134 1HE LYS 16 1HE LYS 16 -6.701 -7.771 -0.416 135 2HE LYS 16 2HE LYS 16 -5.645 -7.123 0.861 136 1HZ LYS 16 1HZ LYS 16 -6.987 -8.369 2.477 137 2HZ LYS 16 2HZ LYS 16 -7.903 -9.026 1.207 138 3HZ LYS 16 3HZ LYS 16 -6.254 -9.398 1.347 139 H SER 17 H SER 17 -7.979 -2.571 0.538 140 HA SER 17 HA SER 17 -9.820 -2.653 -1.557 141 1HB SER 17 1HB SER 17 -9.741 -1.431 0.998 142 2HB SER 17 2HB SER 17 -10.263 -0.196 -0.139 143 HG SER 17 HG SER 17 -11.646 -2.083 -0.937 144 H GLU 18 H GLU 18 -7.157 -0.486 -1.096 145 HA GLU 18 HA GLU 18 -8.109 1.343 -3.207 146 1HB GLU 18 1HB GLU 18 -5.365 1.450 -1.986 147 2HB GLU 18 2HB GLU 18 -6.341 2.756 -2.626 148 1HG GLU 18 1HG GLU 18 -7.033 1.213 -0.114 149 2HG GLU 18 2HG GLU 18 -6.237 2.780 -0.112 150 H LEU 19 H LEU 19 -5.129 -0.627 -2.657 151 HA LEU 19 HA LEU 19 -3.832 -0.561 -5.028 152 1HB LEU 19 1HB LEU 19 -4.537 -2.928 -3.324 153 2HB LEU 19 2HB LEU 19 -3.744 -3.202 -4.848 154 HG LEU 19 HG LEU 19 -2.527 -1.035 -3.271 155 1HD1 LEU 19 1HD1 LEU 19 -1.952 -2.680 -5.385 156 2HD1 LEU 19 2HD1 LEU 19 -0.752 -1.748 -4.487 157 3HD1 LEU 19 3HD1 LEU 19 -1.047 -3.443 -4.081 158 1HD2 LEU 19 1HD2 LEU 19 -3.125 -3.647 -2.074 159 2HD2 LEU 19 2HD2 LEU 19 -1.392 -3.340 -2.150 160 3HD2 LEU 19 3HD2 LEU 19 -2.450 -2.207 -1.306 161 H VAL 20 H VAL 20 -6.908 -2.269 -4.541 162 HA VAL 20 HA VAL 20 -7.181 -3.447 -7.091 163 HB VAL 20 HB VAL 20 -9.162 -2.357 -5.084 164 1HG1 VAL 20 1HG1 VAL 20 -7.781 -4.617 -5.026 165 2HG1 VAL 20 2HG1 VAL 20 -9.471 -4.583 -4.523 166 3HG1 VAL 20 3HG1 VAL 20 -9.043 -5.159 -6.135 167 1HG2 VAL 20 1HG2 VAL 20 -9.631 -2.951 -7.928 168 2HG2 VAL 20 2HG2 VAL 20 -10.665 -3.876 -6.839 169 3HG2 VAL 20 3HG2 VAL 20 -10.665 -2.115 -6.770 170 H ALA 21 H ALA 21 -8.544 -0.321 -6.035 171 HA ALA 21 HA ALA 21 -9.256 0.582 -8.646 172 1HB ALA 21 1HB ALA 21 -9.458 2.788 -7.591 173 2HB ALA 21 2HB ALA 21 -10.126 1.550 -6.526 174 3HB ALA 21 3HB ALA 21 -8.526 2.222 -6.201 175 H ASN 22 H ASN 22 -6.176 0.287 -7.163 176 HA ASN 22 HA ASN 22 -5.045 2.351 -8.986 177 1HB ASN 22 1HB ASN 22 -3.679 0.938 -6.676 178 2HB ASN 22 2HB ASN 22 -3.120 2.393 -7.505 179 2HD2 ASN 22 2HD2 ASN 22 -4.727 1.476 -4.687 180 1HD2 ASN 22 1HD2 ASN 22 -5.692 2.853 -4.462 181 H ASN 23 H ASN 23 -5.848 -0.052 -10.171 182 HA ASN 23 HA ASN 23 -5.070 -1.747 -11.585 183 1HB ASN 23 1HB ASN 23 -4.009 0.105 -12.706 184 2HB ASN 23 2HB ASN 23 -2.687 0.117 -11.540 185 2HD2 ASN 23 2HD2 ASN 23 -0.943 -0.497 -12.906 186 1HD2 ASN 23 1HD2 ASN 23 -0.894 -1.965 -13.760 187 H VAL 24 H VAL 24 -5.004 -2.973 -9.308 188 HA VAL 24 HA VAL 24 -2.474 -4.468 -9.360 189 HB VAL 24 HB VAL 24 -3.466 -3.267 -6.755 190 1HG1 VAL 24 1HG1 VAL 24 -1.511 -5.319 -7.538 191 2HG1 VAL 24 2HG1 VAL 24 -0.819 -4.069 -6.506 192 3HG1 VAL 24 3HG1 VAL 24 -2.216 -4.996 -5.956 193 1HG2 VAL 24 1HG2 VAL 24 -1.256 -2.442 -8.659 194 2HG2 VAL 24 2HG2 VAL 24 -2.555 -1.443 -8.008 195 3HG2 VAL 24 3HG2 VAL 24 -1.244 -1.982 -6.958 196 H THR 25 H THR 25 -3.099 -6.596 -9.334 197 HA THR 25 HA THR 25 -5.820 -7.312 -8.734 198 HB THR 25 HB THR 25 -4.422 -9.658 -8.700 199 HG1 THR 25 HG1 THR 25 -2.472 -8.680 -9.121 200 1HG2 THR 25 1HG2 THR 25 -5.718 -8.017 -10.838 201 2HG2 THR 25 2HG2 THR 25 -4.912 -9.521 -11.285 202 3HG2 THR 25 3HG2 THR 25 -6.246 -9.544 -10.132 203 H LEU 26 H LEU 26 -6.494 -8.766 -7.071 204 HA LEU 26 HA LEU 26 -4.864 -8.554 -4.569 205 1HB LEU 26 1HB LEU 26 -7.863 -8.848 -4.857 206 2HB LEU 26 2HB LEU 26 -7.006 -8.638 -3.353 207 HG LEU 26 HG LEU 26 -8.080 -6.679 -5.006 208 1HD1 LEU 26 1HD1 LEU 26 -5.099 -6.689 -5.106 209 2HD1 LEU 26 2HD1 LEU 26 -6.250 -6.360 -6.399 210 3HD1 LEU 26 3HD1 LEU 26 -5.986 -5.167 -5.129 211 1HD2 LEU 26 1HD2 LEU 26 -7.136 -6.950 -2.385 212 2HD2 LEU 26 2HD2 LEU 26 -6.337 -5.522 -3.061 213 3HD2 LEU 26 3HD2 LEU 26 -8.099 -5.634 -3.050 214 HA PRO 27 HA PRO 27 -4.856 -12.988 -5.302 215 1HB PRO 27 1HB PRO 27 -2.893 -13.536 -3.447 216 2HB PRO 27 2HB PRO 27 -2.559 -12.920 -5.072 217 1HG PRO 27 1HG PRO 27 -2.476 -11.470 -2.472 218 2HG PRO 27 2HG PRO 27 -1.554 -11.177 -3.956 219 1HD PRO 27 1HD PRO 27 -3.814 -9.727 -3.100 220 2HD PRO 27 2HD PRO 27 -3.113 -9.675 -4.724 221 H ALA 28 H ALA 28 -3.842 -13.036 -1.962 222 HA ALA 28 HA ALA 28 -5.904 -14.833 -1.180 223 1HB ALA 28 1HB ALA 28 -3.650 -13.487 0.075 224 2HB ALA 28 2HB ALA 28 -5.029 -13.609 1.171 225 3HB ALA 28 3HB ALA 28 -4.356 -15.064 0.436 226 H GLY 29 H GLY 29 -7.181 -14.192 0.996 227 1HA GLY 29 1HA GLY 29 -9.447 -13.174 1.143 228 2HA GLY 29 2HA GLY 29 -8.792 -11.786 0.267 229 H GLU 30 H GLU 30 -8.610 -13.516 3.384 230 HA GLU 30 HA GLU 30 -8.754 -11.296 5.047 231 1HB GLU 30 1HB GLU 30 -8.739 -13.470 6.058 232 2HB GLU 30 2HB GLU 30 -7.156 -13.847 5.381 233 1HG GLU 30 1HG GLU 30 -7.126 -11.395 6.974 234 2HG GLU 30 2HG GLU 30 -7.632 -12.800 7.914 235 H GLN 31 H GLN 31 -5.569 -12.821 4.675 236 HA GLN 31 HA GLN 31 -4.259 -10.770 3.394 237 1HB GLN 31 1HB GLN 31 -4.954 -9.849 5.943 238 2HB GLN 31 2HB GLN 31 -3.294 -10.383 6.152 239 1HG GLN 31 1HG GLN 31 -3.052 -8.179 5.515 240 2HG GLN 31 2HG GLN 31 -2.837 -8.975 3.979 241 2HE2 GLN 31 2HE2 GLN 31 -5.421 -7.536 6.057 242 1HE2 GLN 31 1HE2 GLN 31 -6.387 -6.997 4.769 243 H ARG 32 H ARG 32 -2.951 -12.320 2.532 244 HA ARG 32 HA ARG 32 -1.920 -14.617 3.495 245 1HB ARG 32 1HB ARG 32 -1.376 -12.753 1.434 246 2HB ARG 32 2HB ARG 32 0.164 -13.122 2.172 247 1HG ARG 32 1HG ARG 32 -0.646 -15.614 1.968 248 2HG ARG 32 2HG ARG 32 -1.774 -14.935 0.796 249 1HD ARG 32 1HD ARG 32 -0.031 -14.253 -0.653 250 2HD ARG 32 2HD ARG 32 1.181 -14.333 0.627 251 HE ARG 32 HE ARG 32 0.009 -16.931 0.083 252 1HH1 ARG 32 1HH1 ARG 32 1.605 -14.787 -1.936 253 2HH1 ARG 32 2HH1 ARG 32 2.950 -15.824 -2.272 254 1HH2 ARG 32 1HH2 ARG 32 2.051 -18.199 0.089 255 2HH2 ARG 32 2HH2 ARG 32 3.203 -17.756 -1.126 256 H LYS 33 H LYS 33 0.009 -11.615 3.663 257 HA LYS 33 HA LYS 33 0.591 -11.716 6.441 258 1HB LYS 33 1HB LYS 33 1.841 -13.815 5.169 259 2HB LYS 33 2HB LYS 33 3.086 -12.568 5.112 260 1HG LYS 33 1HG LYS 33 1.581 -13.212 7.654 261 2HG LYS 33 2HG LYS 33 3.057 -14.065 7.200 262 1HD LYS 33 1HD LYS 33 4.352 -12.061 7.263 263 2HD LYS 33 2HD LYS 33 2.909 -11.046 7.322 264 1HE LYS 33 1HE LYS 33 4.058 -11.307 9.548 265 2HE LYS 33 2HE LYS 33 2.375 -11.835 9.552 266 1HZ LYS 33 1HZ LYS 33 4.523 -13.760 8.959 267 2HZ LYS 33 2HZ LYS 33 4.177 -13.349 10.571 268 3HZ LYS 33 3HZ LYS 33 2.974 -14.043 9.599 269 H ASP 34 H ASP 34 0.330 -9.435 6.021 270 HA ASP 34 HA ASP 34 1.069 -7.276 5.408 271 1HB ASP 34 1HB ASP 34 3.340 -8.775 6.356 272 2HB ASP 34 2HB ASP 34 3.865 -7.786 4.990 273 H VAL 35 H VAL 35 0.568 -9.536 3.359 274 HA VAL 35 HA VAL 35 2.297 -9.146 1.148 275 HB VAL 35 HB VAL 35 0.919 -11.055 1.064 276 1HG1 VAL 35 1HG1 VAL 35 -0.999 -9.302 2.256 277 2HG1 VAL 35 2HG1 VAL 35 -1.715 -10.154 0.892 278 3HG1 VAL 35 3HG1 VAL 35 -0.971 -11.060 2.206 279 1HG2 VAL 35 1HG2 VAL 35 0.790 -9.135 -0.997 280 2HG2 VAL 35 2HG2 VAL 35 0.394 -10.855 -1.137 281 3HG2 VAL 35 3HG2 VAL 35 -0.875 -9.684 -0.771 282 H TYR 36 H TYR 36 -0.813 -7.559 1.932 283 HA TYR 36 HA TYR 36 -0.826 -6.001 -0.469 284 1HB TYR 36 1HB TYR 36 -2.267 -5.696 2.149 285 2HB TYR 36 2HB TYR 36 -2.678 -4.885 0.647 286 HD1 TYR 36 HD1 TYR 36 -3.580 -6.166 -1.246 287 HD2 TYR 36 HD2 TYR 36 -2.539 -8.031 2.445 288 HE1 TYR 36 HE1 TYR 36 -4.904 -8.160 -1.894 289 HE2 TYR 36 HE2 TYR 36 -3.861 -10.038 1.838 290 HH TYR 36 HH TYR 36 -6.046 -10.061 -0.767 291 H VAL 37 H VAL 37 0.592 -5.635 2.677 292 HA VAL 37 HA VAL 37 0.884 -2.764 2.473 293 HB VAL 37 HB VAL 37 2.129 -4.877 4.255 294 1HG1 VAL 37 1HG1 VAL 37 -0.365 -4.052 4.384 295 2HG1 VAL 37 2HG1 VAL 37 0.589 -4.122 5.872 296 3HG1 VAL 37 3HG1 VAL 37 0.343 -2.580 5.057 297 1HG2 VAL 37 1HG2 VAL 37 3.039 -2.178 3.707 298 2HG2 VAL 37 2HG2 VAL 37 2.497 -2.312 5.380 299 3HG2 VAL 37 3HG2 VAL 37 3.752 -3.391 4.769 300 H GLN 38 H GLN 38 3.260 -5.457 2.301 301 HA GLN 38 HA GLN 38 5.345 -3.874 1.161 302 1HB GLN 38 1HB GLN 38 5.330 -6.360 2.094 303 2HB GLN 38 2HB GLN 38 4.944 -6.781 0.432 304 1HG GLN 38 1HG GLN 38 7.010 -5.327 -0.182 305 2HG GLN 38 2HG GLN 38 7.438 -5.497 1.522 306 2HE2 GLN 38 2HE2 GLN 38 6.028 -8.265 1.437 307 1HE2 GLN 38 1HE2 GLN 38 7.190 -9.274 0.717 308 H LEU 39 H LEU 39 2.850 -5.928 -0.279 309 HA LEU 39 HA LEU 39 3.337 -5.702 -3.018 310 1HB LEU 39 1HB LEU 39 0.864 -5.934 -1.411 311 2HB LEU 39 2HB LEU 39 0.589 -5.254 -2.999 312 HG LEU 39 HG LEU 39 2.151 -7.805 -2.560 313 1HD1 LEU 39 1HD1 LEU 39 -0.359 -7.811 -1.880 314 2HD1 LEU 39 2HD1 LEU 39 -0.678 -7.591 -3.598 315 3HD1 LEU 39 3HD1 LEU 39 0.176 -9.028 -3.039 316 1HD2 LEU 39 1HD2 LEU 39 1.141 -6.187 -4.884 317 2HD2 LEU 39 2HD2 LEU 39 2.717 -6.959 -4.666 318 3HD2 LEU 39 3HD2 LEU 39 1.302 -7.938 -5.055 319 H TYR 40 H TYR 40 1.613 -3.344 -0.990 320 HA TYR 40 HA TYR 40 1.135 -1.370 -2.894 321 1HB TYR 40 1HB TYR 40 0.211 -0.538 -1.037 322 2HB TYR 40 2HB TYR 40 1.092 -1.689 -0.054 323 HD1 TYR 40 HD1 TYR 40 2.431 -0.829 1.623 324 HD2 TYR 40 HD2 TYR 40 1.863 1.473 -1.953 325 HE1 TYR 40 HE1 TYR 40 3.822 0.987 2.570 326 HE2 TYR 40 HE2 TYR 40 3.225 3.306 -0.985 327 HH TYR 40 HH TYR 40 4.466 3.111 2.330 328 H LEU 41 H LEU 41 3.977 -1.439 -0.659 329 HA LEU 41 HA LEU 41 5.241 0.729 -2.010 330 1HB LEU 41 1HB LEU 41 5.716 -0.650 0.301 331 2HB LEU 41 2HB LEU 41 7.010 -1.273 -0.716 332 HG LEU 41 HG LEU 41 7.456 1.240 -1.288 333 1HD1 LEU 41 1HD1 LEU 41 8.323 -0.504 0.821 334 2HD1 LEU 41 2HD1 LEU 41 9.244 0.738 -0.027 335 3HD1 LEU 41 3HD1 LEU 41 8.320 1.157 1.415 336 1HD2 LEU 41 1HD2 LEU 41 5.683 1.423 1.175 337 2HD2 LEU 41 2HD2 LEU 41 6.872 2.666 0.786 338 3HD2 LEU 41 3HD2 LEU 41 5.555 2.333 -0.335 339 H GLN 42 H GLN 42 4.807 -2.515 -2.985 340 HA GLN 42 HA GLN 42 7.253 -2.755 -4.545 341 1HB GLN 42 1HB GLN 42 5.677 -4.633 -3.598 342 2HB GLN 42 2HB GLN 42 4.789 -4.390 -5.094 343 1HG GLN 42 1HG GLN 42 7.047 -4.663 -6.297 344 2HG GLN 42 2HG GLN 42 7.657 -5.286 -4.760 345 2HE2 GLN 42 2HE2 GLN 42 5.506 -6.798 -3.826 346 1HE2 GLN 42 1HE2 GLN 42 5.163 -8.053 -4.915 347 H HIS 43 H HIS 43 3.826 -2.569 -5.625 348 HA HIS 43 HA HIS 43 4.729 -1.665 -8.290 349 1HB HIS 43 1HB HIS 43 1.853 -1.755 -7.445 350 2HB HIS 43 2HB HIS 43 2.563 -2.152 -9.017 351 HD1 HIS 43 HD1 HIS 43 3.398 -4.560 -9.357 352 HD2 HIS 43 HD2 HIS 43 2.085 -3.784 -5.482 353 HE1 HIS 43 HE1 HIS 43 3.301 -6.802 -8.180 354 H LEU 44 H LEU 44 3.210 -0.468 -5.403 355 HA LEU 44 HA LEU 44 2.671 2.135 -6.689 356 1HB LEU 44 1HB LEU 44 2.140 1.271 -3.834 357 2HB LEU 44 2HB LEU 44 1.576 2.741 -4.600 358 HG LEU 44 HG LEU 44 0.381 0.036 -4.664 359 1HD1 LEU 44 1HD1 LEU 44 -0.388 2.589 -4.257 360 2HD1 LEU 44 2HD1 LEU 44 -0.895 2.393 -5.924 361 3HD1 LEU 44 3HD1 LEU 44 -1.505 1.294 -4.688 362 1HD2 LEU 44 1HD2 LEU 44 1.175 1.365 -7.247 363 2HD2 LEU 44 2HD2 LEU 44 0.860 -0.335 -6.920 364 3HD2 LEU 44 3HD2 LEU 44 -0.478 0.788 -7.111 365 H THR 45 H THR 45 5.037 0.610 -4.593 366 HA THR 45 HA THR 45 6.895 1.556 -3.480 367 HB THR 45 HB THR 45 7.588 3.550 -5.317 368 HG1 THR 45 HG1 THR 45 6.917 2.835 -7.232 369 1HG2 THR 45 1HG2 THR 45 8.174 0.587 -5.115 370 2HG2 THR 45 2HG2 THR 45 9.033 1.651 -6.233 371 3HG2 THR 45 3HG2 THR 45 9.154 1.917 -4.492 372 H ALA 46 H ALA 46 4.239 3.020 -2.994 373 HA ALA 46 HA ALA 46 3.558 5.066 -2.068 374 1HB ALA 46 1HB ALA 46 6.435 4.836 -1.123 375 2HB ALA 46 2HB ALA 46 4.969 4.488 -0.209 376 3HB ALA 46 3HB ALA 46 5.379 6.156 -0.616 377 H ARG 47 H ARG 47 3.852 5.359 -4.582 378 HA ARG 47 HA ARG 47 5.301 6.609 -6.272 379 1HB ARG 47 1HB ARG 47 3.355 8.620 -5.938 380 2HB ARG 47 2HB ARG 47 3.255 7.248 -7.007 381 1HG ARG 47 1HG ARG 47 2.613 6.794 -4.107 382 2HG ARG 47 2HG ARG 47 1.450 7.699 -5.047 383 1HD ARG 47 1HD ARG 47 1.622 4.921 -4.920 384 2HD ARG 47 2HD ARG 47 0.745 5.830 -6.140 385 HE ARG 47 HE ARG 47 3.592 5.387 -6.707 386 1HH1 ARG 47 1HH1 ARG 47 0.731 3.596 -6.611 387 2HH1 ARG 47 2HH1 ARG 47 0.827 3.042 -8.249 388 1HH2 ARG 47 1HH2 ARG 47 3.553 5.033 -9.043 389 2HH2 ARG 47 2HH2 ARG 47 2.425 3.854 -9.626 390 H ASN 48 H ASN 48 3.899 9.268 -4.345 391 HA ASN 48 HA ASN 48 6.639 10.448 -4.309 392 1HB ASN 48 1HB ASN 48 4.688 12.331 -3.364 393 2HB ASN 48 2HB ASN 48 5.609 12.372 -4.868 394 2HD2 ASN 48 2HD2 ASN 48 4.658 10.355 -6.379 395 1HD2 ASN 48 1HD2 ASN 48 3.007 10.541 -6.631 396 H ARG 49 H ARG 49 7.283 9.096 -2.488 397 HA ARG 49 HA ARG 49 5.960 9.015 -0.037 398 1HB ARG 49 1HB ARG 49 8.857 9.114 0.300 399 2HB ARG 49 2HB ARG 49 7.716 7.874 0.791 400 1HG ARG 49 1HG ARG 49 7.562 7.386 -1.790 401 2HG ARG 49 2HG ARG 49 9.132 8.184 -1.833 402 1HD ARG 49 1HD ARG 49 8.799 6.188 0.326 403 2HD ARG 49 2HD ARG 49 8.806 5.525 -1.308 404 HE ARG 49 HE ARG 49 11.106 6.532 0.078 405 1HH1 ARG 49 1HH1 ARG 49 11.000 4.703 -2.374 406 2HH1 ARG 49 2HH1 ARG 49 11.800 5.688 -3.553 407 1HH2 ARG 49 1HH2 ARG 49 11.508 8.605 -1.701 408 2HH2 ARG 49 2HH2 ARG 49 12.089 7.897 -3.172 409 HA PRO 50 HA PRO 50 8.345 12.918 1.296 410 1HB PRO 50 1HB PRO 50 9.623 14.279 -0.727 411 2HB PRO 50 2HB PRO 50 10.389 13.001 0.231 412 1HG PRO 50 1HG PRO 50 9.390 12.913 -2.579 413 2HG PRO 50 2HG PRO 50 10.643 11.930 -1.807 414 1HD PRO 50 1HD PRO 50 7.943 11.140 -2.310 415 2HD PRO 50 2HD PRO 50 9.114 10.261 -1.336 416 HA PRO 51 HA PRO 51 4.905 15.361 -0.168 417 1HB PRO 51 1HB PRO 51 4.956 17.207 1.869 418 2HB PRO 51 2HB PRO 51 4.236 15.596 2.017 419 1HG PRO 51 1HG PRO 51 6.825 16.613 3.101 420 2HG PRO 51 2HG PRO 51 5.789 15.314 3.711 421 1HD PRO 51 1HD PRO 51 8.164 14.988 2.205 422 2HD PRO 51 2HD PRO 51 6.967 13.724 2.548 423 H LEU 52 H LEU 52 8.064 16.052 -0.510 424 HA LEU 52 HA LEU 52 9.249 17.776 -1.575 425 1HB LEU 52 1HB LEU 52 6.411 18.322 -2.446 426 2HB LEU 52 2HB LEU 52 7.750 19.342 -2.972 427 HG LEU 52 HG LEU 52 7.194 17.461 -4.563 428 1HD1 LEU 52 1HD1 LEU 52 6.728 15.869 -2.577 429 2HD1 LEU 52 2HD1 LEU 52 7.606 15.203 -3.954 430 3HD1 LEU 52 3HD1 LEU 52 8.479 15.670 -2.495 431 1HD2 LEU 52 1HD2 LEU 52 9.519 18.570 -4.192 432 2HD2 LEU 52 2HD2 LEU 52 9.944 17.059 -3.386 433 3HD2 LEU 52 3HD2 LEU 52 9.463 17.048 -5.082 434 HA PRO 53 HA PRO 53 8.615 20.759 1.770 435 1HB PRO 53 1HB PRO 53 11.298 21.241 2.104 436 2HB PRO 53 2HB PRO 53 10.445 19.885 2.862 437 1HG PRO 53 1HG PRO 53 12.329 19.873 0.546 438 2HG PRO 53 2HG PRO 53 11.955 18.576 1.690 439 1HD PRO 53 1HD PRO 53 10.947 18.829 -0.957 440 2HD PRO 53 2HD PRO 53 10.367 17.700 0.284 441 H ALA 54 H ALA 54 9.052 21.175 -1.369 442 HA ALA 54 HA ALA 54 9.030 23.143 -2.664 443 1HB ALA 54 1HB ALA 54 9.637 25.102 -0.659 444 2HB ALA 54 2HB ALA 54 8.437 23.973 -0.020 445 3HB ALA 54 3HB ALA 54 8.121 24.848 -1.523 446 H GLY 55 H GLY 55 11.228 21.952 -3.080 447 1HA GLY 55 1HA GLY 55 13.708 22.512 -2.133 448 2HA GLY 55 2HA GLY 55 13.323 24.015 -2.973 449 H THR 56 H THR 56 11.650 22.289 -4.902 450 HA THR 56 HA THR 56 11.997 21.046 -6.879 451 HB THR 56 HB THR 56 13.332 22.209 -8.385 452 HG1 THR 56 HG1 THR 56 15.342 22.875 -7.928 453 1HG2 THR 56 1HG2 THR 56 11.837 23.767 -7.052 454 2HG2 THR 56 2HG2 THR 56 13.262 24.204 -6.111 455 3HG2 THR 56 3HG2 THR 56 13.210 24.546 -7.840 No H/Q in entry = 455 Start of MODEL 2 1 H2 PRO 1 H2 PRO 1 -2.786 8.269 -8.461 2 H3 PRO 1 H3 PRO 1 -2.639 8.591 -10.124 3 HA PRO 1 HA PRO 1 -2.087 10.684 -9.682 4 1HB PRO 1 1HB PRO 1 -4.213 11.572 -7.976 5 2HB PRO 1 2HB PRO 1 -3.994 11.891 -9.702 6 1HG PRO 1 1HG PRO 1 -5.920 10.183 -8.463 7 2HG PRO 1 2HG PRO 1 -5.674 10.471 -10.194 8 1HD PRO 1 1HD PRO 1 -4.977 8.124 -8.603 9 2HD PRO 1 2HD PRO 1 -4.820 8.320 -10.353 10 H GLU 2 H GLU 2 -3.618 9.430 -6.692 11 HA GLU 2 HA GLU 2 -1.085 9.910 -5.249 12 1HB GLU 2 1HB GLU 2 -2.546 11.064 -3.406 13 2HB GLU 2 2HB GLU 2 -1.996 12.019 -4.783 14 1HG GLU 2 1HG GLU 2 -4.108 11.959 -5.824 15 2HG GLU 2 2HG GLU 2 -4.635 10.566 -4.879 16 H PHE 3 H PHE 3 -0.770 8.019 -4.190 17 HA PHE 3 HA PHE 3 -3.155 6.687 -2.973 18 1HB PHE 3 1HB PHE 3 -2.655 5.074 -4.566 19 2HB PHE 3 2HB PHE 3 -0.992 5.635 -4.729 20 HD1 PHE 3 HD1 PHE 3 -3.031 3.030 -3.408 21 HD2 PHE 3 HD2 PHE 3 0.584 5.224 -2.806 22 HE1 PHE 3 HE1 PHE 3 -2.129 1.171 -2.086 23 HE2 PHE 3 HE2 PHE 3 1.497 3.371 -1.535 24 HZ PHE 3 HZ PHE 3 0.149 1.284 -1.188 25 H LEU 4 H LEU 4 -2.649 5.444 -1.087 26 HA LEU 4 HA LEU 4 -1.319 6.786 0.959 27 1HB LEU 4 1HB LEU 4 -1.100 4.329 1.934 28 2HB LEU 4 2HB LEU 4 -2.691 5.036 1.692 29 HG LEU 4 HG LEU 4 -1.594 3.747 -0.703 30 1HD1 LEU 4 1HD1 LEU 4 -0.675 2.275 1.060 31 2HD1 LEU 4 2HD1 LEU 4 -2.294 2.123 1.739 32 3HD1 LEU 4 3HD1 LEU 4 -1.946 1.467 0.136 33 1HD2 LEU 4 1HD2 LEU 4 -4.120 4.127 0.754 34 2HD2 LEU 4 2HD2 LEU 4 -3.832 4.082 -0.985 35 3HD2 LEU 4 3HD2 LEU 4 -3.986 2.579 -0.080 36 H GLU 5 H GLU 5 0.740 7.534 0.052 37 HA GLU 5 HA GLU 5 2.753 5.685 -0.846 38 1HB GLU 5 1HB GLU 5 3.088 8.469 0.306 39 2HB GLU 5 2HB GLU 5 4.300 7.582 -0.618 40 1HG GLU 5 1HG GLU 5 3.359 8.811 -2.327 41 2HG GLU 5 2HG GLU 5 2.287 7.416 -2.386 42 H ASP 6 H ASP 6 1.456 6.291 2.183 43 HA ASP 6 HA ASP 6 3.537 4.659 3.480 44 1HB ASP 6 1HB ASP 6 3.012 7.544 4.091 45 2HB ASP 6 2HB ASP 6 3.305 6.456 5.448 46 HA PRO 7 HA PRO 7 -0.788 3.765 4.645 47 1HB PRO 7 1HB PRO 7 -0.544 1.046 4.331 48 2HB PRO 7 2HB PRO 7 -0.986 2.146 3.021 49 1HG PRO 7 1HG PRO 7 1.596 0.759 3.519 50 2HG PRO 7 2HG PRO 7 0.905 1.332 1.994 51 1HD PRO 7 1HD PRO 7 2.959 2.610 3.492 52 2HD PRO 7 2HD PRO 7 2.057 3.325 2.140 53 H SER 8 H SER 8 0.715 4.423 6.745 54 HA SER 8 HA SER 8 1.006 1.958 8.405 55 1HB SER 8 1HB SER 8 2.914 3.775 8.029 56 2HB SER 8 2HB SER 8 2.039 4.623 9.304 57 HG SER 8 HG SER 8 3.035 3.339 10.609 58 H VAL 9 H VAL 9 -1.401 3.874 7.729 59 HA VAL 9 HA VAL 9 -2.283 4.113 10.573 60 HB VAL 9 HB VAL 9 -3.327 6.221 10.128 61 1HG1 VAL 9 1HG1 VAL 9 -4.079 5.576 7.818 62 2HG1 VAL 9 2HG1 VAL 9 -3.423 7.210 7.916 63 3HG1 VAL 9 3HG1 VAL 9 -2.443 5.905 7.248 64 1HG2 VAL 9 1HG2 VAL 9 -0.560 6.076 8.898 65 2HG2 VAL 9 2HG2 VAL 9 -1.371 7.583 9.320 66 3HG2 VAL 9 3HG2 VAL 9 -0.953 6.423 10.581 67 H LEU 10 H LEU 10 -2.876 2.680 7.613 68 HA LEU 10 HA LEU 10 -5.827 2.660 7.990 69 1HB LEU 10 1HB LEU 10 -5.255 1.013 5.779 70 2HB LEU 10 2HB LEU 10 -5.830 2.681 5.718 71 HG LEU 10 HG LEU 10 -2.884 1.929 5.891 72 1HD1 LEU 10 1HD1 LEU 10 -4.171 1.325 3.709 73 2HD1 LEU 10 2HD1 LEU 10 -4.238 3.066 3.447 74 3HD1 LEU 10 3HD1 LEU 10 -2.689 2.249 3.564 75 1HD2 LEU 10 1HD2 LEU 10 -4.228 4.331 6.424 76 2HD2 LEU 10 2HD2 LEU 10 -2.498 4.139 6.137 77 3HD2 LEU 10 3HD2 LEU 10 -3.575 4.535 4.798 78 H THR 11 H THR 11 -3.692 0.044 6.921 79 HA THR 11 HA THR 11 -3.632 -1.711 9.005 80 HB THR 11 HB THR 11 -5.953 -1.506 9.455 81 HG1 THR 11 HG1 THR 11 -6.779 -3.531 8.224 82 1HG2 THR 11 1HG2 THR 11 -6.087 -1.235 6.507 83 2HG2 THR 11 2HG2 THR 11 -7.501 -1.948 7.289 84 3HG2 THR 11 3HG2 THR 11 -6.964 -0.320 7.741 85 H LYS 12 H LYS 12 -4.148 -4.113 8.003 86 HA LYS 12 HA LYS 12 -2.717 -4.087 5.446 87 1HB LYS 12 1HB LYS 12 -2.997 -5.916 7.615 88 2HB LYS 12 2HB LYS 12 -3.650 -6.730 6.201 89 1HG LYS 12 1HG LYS 12 -1.460 -7.261 5.801 90 2HG LYS 12 2HG LYS 12 -1.340 -5.598 5.167 91 1HD LYS 12 1HD LYS 12 0.410 -5.844 6.816 92 2HD LYS 12 2HD LYS 12 -0.854 -4.851 7.548 93 1HE LYS 12 1HE LYS 12 -0.650 -6.341 9.268 94 2HE LYS 12 2HE LYS 12 -1.723 -7.317 8.267 95 1HZ LYS 12 1HZ LYS 12 1.094 -7.524 7.633 96 2HZ LYS 12 2HZ LYS 12 0.653 -8.143 9.151 97 3HZ LYS 12 3HZ LYS 12 -0.088 -8.738 7.748 98 H ASP 13 H ASP 13 -5.939 -3.838 6.372 99 HA ASP 13 HA ASP 13 -6.924 -5.358 4.013 100 1HB ASP 13 1HB ASP 13 -7.871 -5.364 6.518 101 2HB ASP 13 2HB ASP 13 -8.828 -4.028 5.878 102 H LYS 14 H LYS 14 -6.560 -2.011 5.067 103 HA LYS 14 HA LYS 14 -8.501 -1.019 3.079 104 1HB LYS 14 1HB LYS 14 -7.952 -0.030 5.362 105 2HB LYS 14 2HB LYS 14 -6.493 0.576 4.611 106 1HG LYS 14 1HG LYS 14 -9.308 1.084 3.633 107 2HG LYS 14 2HG LYS 14 -8.324 2.223 4.551 108 1HD LYS 14 1HD LYS 14 -7.770 1.145 1.758 109 2HD LYS 14 2HD LYS 14 -8.106 2.774 2.232 110 1HE LYS 14 1HE LYS 14 -6.044 3.059 3.341 111 2HE LYS 14 2HE LYS 14 -5.758 1.322 3.325 112 1HZ LYS 14 1HZ LYS 14 -5.675 1.509 0.875 113 2HZ LYS 14 2HZ LYS 14 -5.676 3.193 1.071 114 3HZ LYS 14 3HZ LYS 14 -4.407 2.267 1.707 115 H LEU 15 H LEU 15 -4.998 -0.733 3.592 116 HA LEU 15 HA LEU 15 -4.192 0.510 1.256 117 1HB LEU 15 1HB LEU 15 -2.391 -1.630 1.414 118 2HB LEU 15 2HB LEU 15 -2.194 -0.044 2.153 119 HG LEU 15 HG LEU 15 -3.280 -0.807 4.197 120 1HD1 LEU 15 1HD1 LEU 15 -4.235 -2.871 2.487 121 2HD1 LEU 15 2HD1 LEU 15 -4.672 -2.559 4.169 122 3HD1 LEU 15 3HD1 LEU 15 -3.296 -3.615 3.770 123 1HD2 LEU 15 1HD2 LEU 15 -0.821 -1.193 3.800 124 2HD2 LEU 15 2HD2 LEU 15 -1.553 -2.302 4.961 125 3HD2 LEU 15 3HD2 LEU 15 -1.230 -2.838 3.313 126 H LYS 16 H LYS 16 -5.606 -2.671 1.542 127 HA LYS 16 HA LYS 16 -4.817 -3.493 -1.126 128 1HB LYS 16 1HB LYS 16 -5.498 -5.536 -0.416 129 2HB LYS 16 2HB LYS 16 -5.459 -4.812 1.167 130 1HG LYS 16 1HG LYS 16 -7.828 -4.380 1.090 131 2HG LYS 16 2HG LYS 16 -7.917 -4.876 -0.589 132 1HD LYS 16 1HD LYS 16 -8.281 -6.987 0.076 133 2HD LYS 16 2HD LYS 16 -6.704 -6.992 0.873 134 1HE LYS 16 1HE LYS 16 -8.021 -5.559 2.677 135 2HE LYS 16 2HE LYS 16 -9.406 -6.422 2.009 136 1HZ LYS 16 1HZ LYS 16 -7.175 -8.140 2.451 137 2HZ LYS 16 2HZ LYS 16 -7.677 -7.379 3.886 138 3HZ LYS 16 3HZ LYS 16 -8.777 -8.301 2.979 139 H SER 17 H SER 17 -7.856 -2.711 0.495 140 HA SER 17 HA SER 17 -9.715 -2.842 -1.529 141 1HB SER 17 1HB SER 17 -10.492 -2.125 0.555 142 2HB SER 17 2HB SER 17 -9.302 -0.844 0.653 143 HG SER 17 HG SER 17 -11.767 -0.685 -0.251 144 H GLU 18 H GLU 18 -7.128 -0.621 -1.174 145 HA GLU 18 HA GLU 18 -8.061 1.090 -3.387 146 1HB GLU 18 1HB GLU 18 -5.396 1.320 -2.017 147 2HB GLU 18 2HB GLU 18 -6.371 2.583 -2.749 148 1HG GLU 18 1HG GLU 18 -7.091 1.038 -0.243 149 2HG GLU 18 2HG GLU 18 -6.550 2.693 -0.269 150 H LEU 19 H LEU 19 -5.069 -0.786 -2.653 151 HA LEU 19 HA LEU 19 -3.684 -0.732 -4.987 152 1HB LEU 19 1HB LEU 19 -4.353 -3.021 -3.180 153 2HB LEU 19 2HB LEU 19 -3.530 -3.370 -4.676 154 HG LEU 19 HG LEU 19 -2.416 -1.066 -3.223 155 1HD1 LEU 19 1HD1 LEU 19 -1.745 -2.748 -5.250 156 2HD1 LEU 19 2HD1 LEU 19 -0.572 -1.796 -4.339 157 3HD1 LEU 19 3HD1 LEU 19 -0.870 -3.485 -3.910 158 1HD2 LEU 19 1HD2 LEU 19 -2.866 -3.677 -1.910 159 2HD2 LEU 19 2HD2 LEU 19 -1.172 -3.188 -1.923 160 3HD2 LEU 19 3HD2 LEU 19 -2.388 -2.141 -1.183 161 H VAL 20 H VAL 20 -6.801 -2.309 -4.538 162 HA VAL 20 HA VAL 20 -6.955 -3.657 -7.051 163 HB VAL 20 HB VAL 20 -8.983 -2.592 -5.081 164 1HG1 VAL 20 1HG1 VAL 20 -8.269 -5.340 -6.143 165 2HG1 VAL 20 2HG1 VAL 20 -7.831 -4.679 -4.568 166 3HG1 VAL 20 3HG1 VAL 20 -9.522 -5.013 -4.945 167 1HG2 VAL 20 1HG2 VAL 20 -9.427 -3.200 -7.927 168 2HG2 VAL 20 2HG2 VAL 20 -10.449 -4.143 -6.843 169 3HG2 VAL 20 3HG2 VAL 20 -10.483 -2.380 -6.777 170 H ALA 21 H ALA 21 -8.407 -0.548 -6.080 171 HA ALA 21 HA ALA 21 -9.121 0.291 -8.710 172 1HB ALA 21 1HB ALA 21 -9.361 2.515 -7.699 173 2HB ALA 21 2HB ALA 21 -10.017 1.287 -6.613 174 3HB ALA 21 3HB ALA 21 -8.428 1.988 -6.293 175 H ASN 22 H ASN 22 -6.048 0.110 -7.183 176 HA ASN 22 HA ASN 22 -4.940 2.164 -9.025 177 1HB ASN 22 1HB ASN 22 -3.575 0.752 -6.711 178 2HB ASN 22 2HB ASN 22 -2.999 2.195 -7.550 179 2HD2 ASN 22 2HD2 ASN 22 -4.621 1.319 -4.725 180 1HD2 ASN 22 1HD2 ASN 22 -5.570 2.710 -4.515 181 H ASN 23 H ASN 23 -5.728 -0.313 -10.169 182 HA ASN 23 HA ASN 23 -4.898 -1.891 -11.685 183 1HB ASN 23 1HB ASN 23 -3.397 0.304 -12.061 184 2HB ASN 23 2HB ASN 23 -2.135 -0.801 -11.519 185 2HD2 ASN 23 2HD2 ASN 23 -3.745 -3.148 -12.666 186 1HD2 ASN 23 1HD2 ASN 23 -3.458 -3.074 -14.340 187 H VAL 24 H VAL 24 -4.962 -2.844 -9.072 188 HA VAL 24 HA VAL 24 -2.691 -4.734 -9.164 189 HB VAL 24 HB VAL 24 -3.403 -3.383 -6.562 190 1HG1 VAL 24 1HG1 VAL 24 -1.419 -5.350 -7.561 191 2HG1 VAL 24 2HG1 VAL 24 -0.785 -4.138 -6.448 192 3HG1 VAL 24 3HG1 VAL 24 -2.117 -5.183 -5.950 193 1HG2 VAL 24 1HG2 VAL 24 -2.612 -1.696 -8.257 194 2HG2 VAL 24 2HG2 VAL 24 -1.533 -1.865 -6.872 195 3HG2 VAL 24 3HG2 VAL 24 -1.122 -2.624 -8.411 196 H THR 25 H THR 25 -3.872 -6.619 -9.329 197 HA THR 25 HA THR 25 -6.513 -6.902 -8.213 198 HB THR 25 HB THR 25 -5.441 -9.462 -8.602 199 HG1 THR 25 HG1 THR 25 -3.843 -9.137 -9.900 200 1HG2 THR 25 1HG2 THR 25 -7.050 -7.642 -10.403 201 2HG2 THR 25 2HG2 THR 25 -6.842 -9.372 -10.679 202 3HG2 THR 25 3HG2 THR 25 -7.683 -8.803 -9.236 203 H LEU 26 H LEU 26 -7.060 -8.591 -6.584 204 HA LEU 26 HA LEU 26 -4.976 -8.695 -4.449 205 1HB LEU 26 1HB LEU 26 -7.972 -8.812 -4.084 206 2HB LEU 26 2HB LEU 26 -6.791 -8.708 -2.807 207 HG LEU 26 HG LEU 26 -8.095 -6.636 -4.190 208 1HD1 LEU 26 1HD1 LEU 26 -5.173 -6.788 -4.735 209 2HD1 LEU 26 2HD1 LEU 26 -6.477 -6.233 -5.780 210 3HD1 LEU 26 3HD1 LEU 26 -5.909 -5.215 -4.458 211 1HD2 LEU 26 1HD2 LEU 26 -6.645 -7.066 -1.759 212 2HD2 LEU 26 2HD2 LEU 26 -6.192 -5.510 -2.471 213 3HD2 LEU 26 3HD2 LEU 26 -7.885 -5.868 -2.118 214 HA PRO 27 HA PRO 27 -5.680 -13.052 -5.384 215 1HB PRO 27 1HB PRO 27 -3.041 -13.726 -5.010 216 2HB PRO 27 2HB PRO 27 -3.670 -13.068 -6.522 217 1HG PRO 27 1HG PRO 27 -1.886 -11.825 -4.533 218 2HG PRO 27 2HG PRO 27 -2.254 -11.289 -6.179 219 1HD PRO 27 1HD PRO 27 -3.357 -10.336 -3.664 220 2HD PRO 27 2HD PRO 27 -3.585 -9.663 -5.270 221 H ALA 28 H ALA 28 -6.805 -12.808 -3.068 222 HA ALA 28 HA ALA 28 -5.880 -14.859 -1.369 223 1HB ALA 28 1HB ALA 28 -4.625 -12.227 -0.872 224 2HB ALA 28 2HB ALA 28 -4.072 -13.841 -0.429 225 3HB ALA 28 3HB ALA 28 -5.282 -13.022 0.561 226 H GLY 29 H GLY 29 -6.953 -11.600 -0.373 227 1HA GLY 29 1HA GLY 29 -9.487 -12.877 0.580 228 2HA GLY 29 2HA GLY 29 -9.484 -11.288 -0.200 229 H GLU 30 H GLU 30 -7.927 -13.016 2.531 230 HA GLU 30 HA GLU 30 -8.545 -10.773 4.316 231 1HB GLU 30 1HB GLU 30 -7.871 -13.550 4.614 232 2HB GLU 30 2HB GLU 30 -6.721 -12.589 5.544 233 1HG GLU 30 1HG GLU 30 -8.537 -12.957 7.030 234 2HG GLU 30 2HG GLU 30 -8.772 -11.313 6.435 235 H GLN 31 H GLN 31 -5.436 -12.438 4.218 236 HA GLN 31 HA GLN 31 -3.880 -10.441 2.967 237 1HB GLN 31 1HB GLN 31 -4.411 -9.922 5.845 238 2HB GLN 31 2HB GLN 31 -2.698 -10.089 5.516 239 1HG GLN 31 1HG GLN 31 -2.962 -7.876 5.265 240 2HG GLN 31 2HG GLN 31 -3.189 -8.317 3.598 241 2HE2 GLN 31 2HE2 GLN 31 -5.110 -7.954 6.651 242 1HE2 GLN 31 1HE2 GLN 31 -6.480 -7.286 5.904 243 H ARG 32 H ARG 32 -2.325 -11.586 2.224 244 HA ARG 32 HA ARG 32 -1.763 -14.232 2.919 245 1HB ARG 32 1HB ARG 32 -0.598 -12.016 1.284 246 2HB ARG 32 2HB ARG 32 0.366 -13.444 1.518 247 1HG ARG 32 1HG ARG 32 -0.784 -14.451 -0.145 248 2HG ARG 32 2HG ARG 32 -2.260 -14.306 0.805 249 1HD ARG 32 1HD ARG 32 -1.140 -12.210 -1.096 250 2HD ARG 32 2HD ARG 32 -2.591 -13.176 -1.342 251 HE ARG 32 HE ARG 32 -3.410 -11.942 0.801 252 1HH1 ARG 32 1HH1 ARG 32 -2.603 -9.820 1.768 253 2HH1 ARG 32 2HH1 ARG 32 -2.355 -8.568 0.601 254 1HH2 ARG 32 1HH2 ARG 32 -2.457 -10.711 -2.116 255 2HH2 ARG 32 2HH2 ARG 32 -2.275 -9.069 -1.599 256 H LYS 33 H LYS 33 0.074 -11.247 3.574 257 HA LYS 33 HA LYS 33 0.814 -11.864 6.221 258 1HB LYS 33 1HB LYS 33 2.071 -13.689 4.716 259 2HB LYS 33 2HB LYS 33 3.216 -12.364 4.505 260 1HG LYS 33 1HG LYS 33 3.916 -13.651 6.434 261 2HG LYS 33 2HG LYS 33 3.269 -12.115 7.013 262 1HD LYS 33 1HD LYS 33 1.814 -13.264 8.291 263 2HD LYS 33 2HD LYS 33 1.066 -13.884 6.819 264 1HE LYS 33 1HE LYS 33 1.823 -15.942 7.327 265 2HE LYS 33 2HE LYS 33 3.478 -15.343 7.223 266 1HZ LYS 33 1HZ LYS 33 1.942 -14.776 9.651 267 2HZ LYS 33 2HZ LYS 33 2.544 -16.350 9.432 268 3HZ LYS 33 3HZ LYS 33 3.608 -15.026 9.461 269 H ASP 34 H ASP 34 0.322 -9.514 6.100 270 HA ASP 34 HA ASP 34 0.922 -7.241 5.722 271 1HB ASP 34 1HB ASP 34 3.075 -8.526 6.945 272 2HB ASP 34 2HB ASP 34 3.814 -7.831 5.500 273 H VAL 35 H VAL 35 0.265 -8.845 3.500 274 HA VAL 35 HA VAL 35 2.291 -8.332 1.456 275 HB VAL 35 HB VAL 35 -0.375 -9.773 1.388 276 1HG1 VAL 35 1HG1 VAL 35 2.329 -10.390 2.087 277 2HG1 VAL 35 2HG1 VAL 35 0.945 -11.471 2.048 278 3HG1 VAL 35 3HG1 VAL 35 1.944 -11.258 0.607 279 1HG2 VAL 35 1HG2 VAL 35 1.143 -8.576 -0.773 280 2HG2 VAL 35 2HG2 VAL 35 1.080 -10.339 -0.920 281 3HG2 VAL 35 3HG2 VAL 35 -0.414 -9.407 -0.804 282 H TYR 36 H TYR 36 -1.250 -7.412 1.640 283 HA TYR 36 HA TYR 36 -1.141 -5.592 -0.470 284 1HB TYR 36 1HB TYR 36 -2.578 -5.253 2.173 285 2HB TYR 36 2HB TYR 36 -2.955 -4.435 0.671 286 HD1 TYR 36 HD1 TYR 36 -3.988 -6.914 2.669 287 HD2 TYR 36 HD2 TYR 36 -2.955 -6.273 -1.413 288 HE1 TYR 36 HE1 TYR 36 -5.345 -8.894 2.043 289 HE2 TYR 36 HE2 TYR 36 -4.314 -8.224 -2.074 290 HH TYR 36 HH TYR 36 -5.869 -9.720 -1.371 291 H VAL 37 H VAL 37 0.331 -5.485 2.658 292 HA VAL 37 HA VAL 37 0.885 -2.641 2.617 293 HB VAL 37 HB VAL 37 1.961 -4.952 4.271 294 1HG1 VAL 37 1HG1 VAL 37 -0.466 -4.007 4.499 295 2HG1 VAL 37 2HG1 VAL 37 0.508 -4.185 5.962 296 3HG1 VAL 37 3HG1 VAL 37 0.325 -2.599 5.217 297 1HG2 VAL 37 1HG2 VAL 37 3.276 -2.543 3.795 298 2HG2 VAL 37 2HG2 VAL 37 2.403 -2.241 5.298 299 3HG2 VAL 37 3HG2 VAL 37 3.530 -3.593 5.188 300 H GLN 38 H GLN 38 3.003 -5.543 2.346 301 HA GLN 38 HA GLN 38 5.246 -4.128 1.282 302 1HB GLN 38 1HB GLN 38 4.472 -6.893 1.683 303 2HB GLN 38 2HB GLN 38 5.199 -6.706 0.091 304 1HG GLN 38 1HG GLN 38 6.785 -7.202 2.067 305 2HG GLN 38 2HG GLN 38 7.232 -5.885 0.989 306 2HE2 GLN 38 2HE2 GLN 38 4.613 -5.625 3.375 307 1HE2 GLN 38 1HE2 GLN 38 5.402 -4.487 4.359 308 H LEU 39 H LEU 39 2.993 -6.235 -0.486 309 HA LEU 39 HA LEU 39 3.359 -5.774 -3.122 310 1HB LEU 39 1HB LEU 39 0.867 -5.886 -1.490 311 2HB LEU 39 2HB LEU 39 0.668 -5.226 -3.116 312 HG LEU 39 HG LEU 39 2.087 -7.848 -2.597 313 1HD1 LEU 39 1HD1 LEU 39 -0.468 -7.569 -1.901 314 2HD1 LEU 39 2HD1 LEU 39 -0.718 -7.669 -3.643 315 3HD1 LEU 39 3HD1 LEU 39 0.070 -8.996 -2.790 316 1HD2 LEU 39 1HD2 LEU 39 1.165 -6.239 -4.938 317 2HD2 LEU 39 2HD2 LEU 39 2.619 -7.226 -4.759 318 3HD2 LEU 39 3HD2 LEU 39 1.061 -7.999 -5.062 319 H TYR 40 H TYR 40 1.583 -3.446 -1.087 320 HA TYR 40 HA TYR 40 1.203 -1.405 -2.921 321 1HB TYR 40 1HB TYR 40 0.233 -0.633 -1.047 322 2HB TYR 40 2HB TYR 40 1.123 -1.787 -0.076 323 HD1 TYR 40 HD1 TYR 40 1.958 1.372 -1.963 324 HD2 TYR 40 HD2 TYR 40 2.352 -0.896 1.660 325 HE1 TYR 40 HE1 TYR 40 3.345 3.178 -0.975 326 HE2 TYR 40 HE2 TYR 40 3.738 0.904 2.637 327 HH TYR 40 HH TYR 40 4.863 2.795 2.195 328 H LEU 41 H LEU 41 3.978 -1.542 -0.611 329 HA LEU 41 HA LEU 41 5.305 0.647 -1.831 330 1HB LEU 41 1HB LEU 41 5.750 -0.890 0.388 331 2HB LEU 41 2HB LEU 41 7.049 -1.445 -0.664 332 HG LEU 41 HG LEU 41 7.531 1.080 -1.061 333 1HD1 LEU 41 1HD1 LEU 41 8.468 -0.805 0.772 334 2HD1 LEU 41 2HD1 LEU 41 9.261 0.708 0.333 335 3HD1 LEU 41 3HD1 LEU 41 8.201 0.644 1.740 336 1HD2 LEU 41 1HD2 LEU 41 5.645 1.147 1.310 337 2HD2 LEU 41 2HD2 LEU 41 6.913 2.357 1.133 338 3HD2 LEU 41 3HD2 LEU 41 5.676 2.198 -0.108 339 H GLN 42 H GLN 42 5.019 -2.650 -2.885 340 HA GLN 42 HA GLN 42 7.425 -2.661 -4.511 341 1HB GLN 42 1HB GLN 42 5.796 -4.609 -3.596 342 2HB GLN 42 2HB GLN 42 5.227 -4.487 -5.258 343 1HG GLN 42 1HG GLN 42 7.069 -6.113 -5.091 344 2HG GLN 42 2HG GLN 42 7.555 -4.723 -6.062 345 2HE2 GLN 42 2HE2 GLN 42 9.218 -3.333 -5.217 346 1HE2 GLN 42 1HE2 GLN 42 10.067 -3.684 -3.790 347 H HIS 43 H HIS 43 3.989 -2.769 -5.594 348 HA HIS 43 HA HIS 43 4.775 -1.821 -8.259 349 1HB HIS 43 1HB HIS 43 1.936 -1.890 -7.277 350 2HB HIS 43 2HB HIS 43 2.568 -2.271 -8.891 351 HD1 HIS 43 HD1 HIS 43 3.515 -4.656 -9.265 352 HD2 HIS 43 HD2 HIS 43 2.169 -3.941 -5.392 353 HE1 HIS 43 HE1 HIS 43 3.471 -6.909 -8.108 354 H LEU 44 H LEU 44 3.231 -0.549 -5.391 355 HA LEU 44 HA LEU 44 2.655 1.982 -6.766 356 1HB LEU 44 1HB LEU 44 2.237 1.211 -3.867 357 2HB LEU 44 2HB LEU 44 1.643 2.668 -4.642 358 HG LEU 44 HG LEU 44 0.477 -0.063 -4.654 359 1HD1 LEU 44 1HD1 LEU 44 -0.310 2.473 -4.184 360 2HD1 LEU 44 2HD1 LEU 44 -0.889 2.287 -5.829 361 3HD1 LEU 44 3HD1 LEU 44 -1.430 1.168 -4.579 362 1HD2 LEU 44 1HD2 LEU 44 1.065 1.366 -7.255 363 2HD2 LEU 44 2HD2 LEU 44 0.963 -0.365 -6.942 364 3HD2 LEU 44 3HD2 LEU 44 -0.502 0.604 -7.039 365 H THR 45 H THR 45 5.183 0.616 -4.793 366 HA THR 45 HA THR 45 7.095 1.636 -3.854 367 HB THR 45 HB THR 45 7.577 3.699 -5.651 368 HG1 THR 45 HG1 THR 45 6.119 3.358 -7.126 369 1HG2 THR 45 1HG2 THR 45 8.191 0.738 -5.677 370 2HG2 THR 45 2HG2 THR 45 8.917 1.862 -6.829 371 3HG2 THR 45 3HG2 THR 45 9.226 2.045 -5.101 372 H ALA 46 H ALA 46 4.403 2.904 -3.135 373 HA ALA 46 HA ALA 46 3.644 4.861 -2.103 374 1HB ALA 46 1HB ALA 46 5.287 4.156 -0.411 375 2HB ALA 46 2HB ALA 46 5.291 5.913 -0.566 376 3HB ALA 46 3HB ALA 46 6.576 4.959 -1.309 377 H ARG 47 H ARG 47 3.859 5.267 -4.634 378 HA ARG 47 HA ARG 47 5.175 6.783 -6.252 379 1HB ARG 47 1HB ARG 47 3.041 8.511 -5.946 380 2HB ARG 47 2HB ARG 47 3.020 7.088 -6.937 381 1HG ARG 47 1HG ARG 47 2.516 6.614 -4.041 382 2HG ARG 47 2HG ARG 47 1.275 7.522 -4.873 383 1HD ARG 47 1HD ARG 47 1.360 4.802 -4.834 384 2HD ARG 47 2HD ARG 47 0.624 5.717 -6.145 385 HE ARG 47 HE ARG 47 3.484 5.226 -6.486 386 1HH1 ARG 47 1HH1 ARG 47 0.296 3.965 -6.831 387 2HH1 ARG 47 2HH1 ARG 47 0.666 3.057 -8.258 388 1HH2 ARG 47 1HH2 ARG 47 3.959 4.130 -8.413 389 2HH2 ARG 47 2HH2 ARG 47 2.738 3.149 -9.153 390 H ASN 48 H ASN 48 3.362 8.985 -4.172 391 HA ASN 48 HA ASN 48 5.713 10.797 -4.140 392 1HB ASN 48 1HB ASN 48 3.557 12.014 -2.754 393 2HB ASN 48 2HB ASN 48 4.113 12.375 -4.387 394 2HD2 ASN 48 2HD2 ASN 48 3.342 10.438 -6.002 395 1HD2 ASN 48 1HD2 ASN 48 1.696 10.109 -5.875 396 H ARG 49 H ARG 49 6.978 9.629 -2.577 397 HA ARG 49 HA ARG 49 6.239 8.671 -0.143 398 1HB ARG 49 1HB ARG 49 8.603 10.153 0.420 399 2HB ARG 49 2HB ARG 49 8.423 8.419 0.217 400 1HG ARG 49 1HG ARG 49 8.806 8.533 -2.129 401 2HG ARG 49 2HG ARG 49 8.630 10.286 -2.156 402 1HD ARG 49 1HD ARG 49 10.999 9.737 -2.254 403 2HD ARG 49 2HD ARG 49 10.653 10.456 -0.681 404 HE ARG 49 HE ARG 49 10.412 7.595 -0.531 405 1HH1 ARG 49 1HH1 ARG 49 11.853 9.521 1.372 406 2HH1 ARG 49 2HH1 ARG 49 13.487 8.964 1.220 407 1HH2 ARG 49 1HH2 ARG 49 12.880 7.145 -1.669 408 2HH2 ARG 49 2HH2 ARG 49 14.069 7.620 -0.501 409 HA PRO 50 HA PRO 50 6.292 12.951 1.921 410 1HB PRO 50 1HB PRO 50 6.588 15.097 0.224 411 2HB PRO 50 2HB PRO 50 7.943 14.265 1.002 412 1HG PRO 50 1HG PRO 50 7.021 14.123 -1.837 413 2HG PRO 50 2HG PRO 50 8.641 13.860 -1.173 414 1HD PRO 50 1HD PRO 50 6.810 11.827 -1.940 415 2HD PRO 50 2HD PRO 50 8.269 11.588 -0.990 416 HA PRO 51 HA PRO 51 2.021 13.304 0.571 417 1HB PRO 51 1HB PRO 51 1.040 13.976 3.048 418 2HB PRO 51 2HB PRO 51 1.374 12.313 2.540 419 1HG PRO 51 1HG PRO 51 2.927 14.070 4.386 420 2HG PRO 51 2HG PRO 51 2.838 12.303 4.334 421 1HD PRO 51 1HD PRO 51 4.939 13.908 3.306 422 2HD PRO 51 2HD PRO 51 4.703 12.176 2.999 423 H LEU 52 H LEU 52 2.508 15.263 -0.682 424 HA LEU 52 HA LEU 52 2.602 17.835 0.733 425 1HB LEU 52 1HB LEU 52 2.397 17.261 -2.238 426 2HB LEU 52 2HB LEU 52 2.812 18.808 -1.502 427 HG LEU 52 HG LEU 52 4.561 16.904 -0.356 428 1HD1 LEU 52 1HD1 LEU 52 4.382 16.657 -3.380 429 2HD1 LEU 52 2HD1 LEU 52 5.650 15.957 -2.373 430 3HD1 LEU 52 3HD1 LEU 52 3.987 15.386 -2.222 431 1HD2 LEU 52 1HD2 LEU 52 5.016 18.938 -2.569 432 2HD2 LEU 52 2HD2 LEU 52 5.050 19.282 -0.839 433 3HD2 LEU 52 3HD2 LEU 52 6.275 18.232 -1.554 434 HA PRO 53 HA PRO 53 -1.698 18.696 0.482 435 1HB PRO 53 1HB PRO 53 -1.612 21.437 0.282 436 2HB PRO 53 2HB PRO 53 -1.278 20.553 1.783 437 1HG PRO 53 1HG PRO 53 0.629 21.911 -0.071 438 2HG PRO 53 2HG PRO 53 0.792 21.587 1.660 439 1HD PRO 53 1HD PRO 53 2.011 20.118 -0.441 440 2HD PRO 53 2HD PRO 53 1.919 19.627 1.263 441 H ALA 54 H ALA 54 0.132 18.703 -2.193 442 HA ALA 54 HA ALA 54 -0.506 18.735 -4.463 443 1HB ALA 54 1HB ALA 54 -2.654 18.124 -4.676 444 2HB ALA 54 2HB ALA 54 -2.928 18.565 -2.986 445 3HB ALA 54 3HB ALA 54 -3.170 19.760 -4.264 446 H GLY 55 H GLY 55 0.989 20.733 -4.108 447 1HA GLY 55 1HA GLY 55 0.923 23.256 -3.874 448 2HA GLY 55 2HA GLY 55 -0.540 23.197 -4.858 449 H THR 56 H THR 56 1.073 20.864 -6.287 450 HA THR 56 HA THR 56 3.244 22.177 -7.645 451 HB THR 56 HB THR 56 3.107 19.743 -7.598 452 HG1 THR 56 HG1 THR 56 3.708 21.103 -9.617 453 1HG2 THR 56 1HG2 THR 56 0.543 20.142 -9.170 454 2HG2 THR 56 2HG2 THR 56 1.315 18.582 -8.883 455 3HG2 THR 56 3HG2 THR 56 0.669 19.510 -7.528 No H/Q in entry = 455 Start of MODEL 3 1 H2 PRO 1 H2 PRO 1 -3.553 8.504 -8.488 2 H3 PRO 1 H3 PRO 1 -3.522 8.848 -10.153 3 HA PRO 1 HA PRO 1 -2.505 10.766 -9.752 4 1HB PRO 1 1HB PRO 1 -4.205 12.010 -7.805 5 2HB PRO 1 2HB PRO 1 -4.113 12.338 -9.540 6 1HG PRO 1 1HG PRO 1 -6.205 11.015 -8.113 7 2HG PRO 1 2HG PRO 1 -6.093 11.309 -9.856 8 1HD PRO 1 1HD PRO 1 -5.730 8.815 -8.385 9 2HD PRO 1 2HD PRO 1 -5.724 9.036 -10.139 10 H GLU 2 H GLU 2 -3.820 9.432 -6.715 11 HA GLU 2 HA GLU 2 -1.124 9.595 -5.526 12 1HB GLU 2 1HB GLU 2 -2.021 11.783 -4.944 13 2HB GLU 2 2HB GLU 2 -3.519 11.055 -4.366 14 1HG GLU 2 1HG GLU 2 -2.040 9.720 -2.735 15 2HG GLU 2 2HG GLU 2 -0.756 10.853 -3.159 16 H PHE 3 H PHE 3 -0.873 8.149 -3.790 17 HA PHE 3 HA PHE 3 -3.230 6.567 -2.924 18 1HB PHE 3 1HB PHE 3 -2.600 5.043 -4.580 19 2HB PHE 3 2HB PHE 3 -0.951 5.667 -4.632 20 HD1 PHE 3 HD1 PHE 3 -3.026 3.029 -3.398 21 HD2 PHE 3 HD2 PHE 3 0.589 5.200 -2.770 22 HE1 PHE 3 HE1 PHE 3 -2.162 1.168 -2.075 23 HE2 PHE 3 HE2 PHE 3 1.483 3.330 -1.493 24 HZ PHE 3 HZ PHE 3 0.110 1.267 -1.153 25 H LEU 4 H LEU 4 -2.217 4.882 -1.171 26 HA LEU 4 HA LEU 4 -1.102 6.538 0.895 27 1HB LEU 4 1HB LEU 4 -0.908 3.521 0.872 28 2HB LEU 4 2HB LEU 4 -1.019 4.586 2.261 29 HG LEU 4 HG LEU 4 -3.249 4.934 0.418 30 1HD1 LEU 4 1HD1 LEU 4 -2.403 2.235 1.393 31 2HD1 LEU 4 2HD1 LEU 4 -4.131 2.603 1.305 32 3HD1 LEU 4 3HD1 LEU 4 -3.136 2.673 -0.151 33 1HD2 LEU 4 1HD2 LEU 4 -2.868 4.245 3.344 34 2HD2 LEU 4 2HD2 LEU 4 -3.329 5.803 2.662 35 3HD2 LEU 4 3HD2 LEU 4 -4.454 4.452 2.611 36 H GLU 5 H GLU 5 0.832 7.441 -0.143 37 HA GLU 5 HA GLU 5 2.971 5.805 -1.075 38 1HB GLU 5 1HB GLU 5 3.032 8.554 0.207 39 2HB GLU 5 2HB GLU 5 4.402 7.803 -0.611 40 1HG GLU 5 1HG GLU 5 3.474 9.083 -2.332 41 2HG GLU 5 2HG GLU 5 2.688 7.525 -2.619 42 H ASP 6 H ASP 6 1.647 6.394 1.999 43 HA ASP 6 HA ASP 6 3.609 4.593 3.245 44 1HB ASP 6 1HB ASP 6 3.566 7.472 3.717 45 2HB ASP 6 2HB ASP 6 3.179 6.583 5.193 46 HA PRO 7 HA PRO 7 -0.767 3.828 4.383 47 1HB PRO 7 1HB PRO 7 -0.549 1.106 4.096 48 2HB PRO 7 2HB PRO 7 -0.996 2.201 2.780 49 1HG PRO 7 1HG PRO 7 1.575 0.782 3.271 50 2HG PRO 7 2HG PRO 7 0.887 1.364 1.750 51 1HD PRO 7 1HD PRO 7 2.970 2.610 3.228 52 2HD PRO 7 2HD PRO 7 2.067 3.342 1.887 53 H SER 8 H SER 8 0.714 4.513 6.486 54 HA SER 8 HA SER 8 1.117 2.085 8.169 55 1HB SER 8 1HB SER 8 2.528 4.616 7.900 56 2HB SER 8 2HB SER 8 2.065 4.313 9.575 57 HG SER 8 HG SER 8 2.940 2.127 9.169 58 H VAL 9 H VAL 9 -1.456 3.695 7.524 59 HA VAL 9 HA VAL 9 -2.285 3.951 10.378 60 HB VAL 9 HB VAL 9 -3.766 5.873 9.640 61 1HG1 VAL 9 1HG1 VAL 9 -2.046 5.525 7.181 62 2HG1 VAL 9 2HG1 VAL 9 -3.804 5.620 7.271 63 3HG1 VAL 9 3HG1 VAL 9 -2.825 7.057 7.568 64 1HG2 VAL 9 1HG2 VAL 9 -0.748 6.093 9.509 65 2HG2 VAL 9 2HG2 VAL 9 -1.816 7.496 9.573 66 3HG2 VAL 9 3HG2 VAL 9 -1.781 6.351 10.915 67 H LEU 10 H LEU 10 -3.238 3.311 7.040 68 HA LEU 10 HA LEU 10 -5.989 2.744 7.540 69 1HB LEU 10 1HB LEU 10 -5.347 0.941 5.485 70 2HB LEU 10 2HB LEU 10 -5.889 2.600 5.255 71 HG LEU 10 HG LEU 10 -3.558 3.406 5.230 72 1HD1 LEU 10 1HD1 LEU 10 -4.552 2.678 3.098 73 2HD1 LEU 10 2HD1 LEU 10 -2.814 2.394 3.131 74 3HD1 LEU 10 3HD1 LEU 10 -3.944 1.053 3.363 75 1HD2 LEU 10 1HD2 LEU 10 -2.669 1.562 6.741 76 2HD2 LEU 10 2HD2 LEU 10 -2.711 0.503 5.338 77 3HD2 LEU 10 3HD2 LEU 10 -1.683 1.921 5.336 78 H THR 11 H THR 11 -3.867 0.043 6.710 79 HA THR 11 HA THR 11 -3.720 -1.495 8.941 80 HB THR 11 HB THR 11 -6.023 -1.285 9.439 81 HG1 THR 11 HG1 THR 11 -6.856 -3.404 8.377 82 1HG2 THR 11 1HG2 THR 11 -6.264 -1.254 6.475 83 2HG2 THR 11 2HG2 THR 11 -7.648 -1.877 7.381 84 3HG2 THR 11 3HG2 THR 11 -7.078 -0.223 7.661 85 H LYS 12 H LYS 12 -4.145 -3.983 8.167 86 HA LYS 12 HA LYS 12 -2.901 -4.061 5.512 87 1HB LYS 12 1HB LYS 12 -2.741 -5.706 7.794 88 2HB LYS 12 2HB LYS 12 -3.552 -6.696 6.590 89 1HG LYS 12 1HG LYS 12 -1.470 -7.127 5.816 90 2HG LYS 12 2HG LYS 12 -1.530 -5.502 5.110 91 1HD LYS 12 1HD LYS 12 0.430 -5.426 6.436 92 2HD LYS 12 2HD LYS 12 -0.802 -4.675 7.458 93 1HE LYS 12 1HE LYS 12 -1.168 -7.107 8.364 94 2HE LYS 12 2HE LYS 12 0.440 -7.412 7.704 95 1HZ LYS 12 1HZ LYS 12 0.608 -5.007 9.040 96 2HZ LYS 12 2HZ LYS 12 -0.292 -6.023 10.062 97 3HZ LYS 12 3HZ LYS 12 1.249 -6.501 9.535 98 H ASP 13 H ASP 13 -5.903 -3.484 6.226 99 HA ASP 13 HA ASP 13 -7.015 -5.428 4.239 100 1HB ASP 13 1HB ASP 13 -7.784 -5.209 6.857 101 2HB ASP 13 2HB ASP 13 -8.937 -4.130 6.068 102 H LYS 14 H LYS 14 -6.570 -2.057 4.967 103 HA LYS 14 HA LYS 14 -8.712 -1.268 3.085 104 1HB LYS 14 1HB LYS 14 -8.169 -0.069 5.273 105 2HB LYS 14 2HB LYS 14 -6.720 0.500 4.464 106 1HG LYS 14 1HG LYS 14 -9.585 1.023 3.642 107 2HG LYS 14 2HG LYS 14 -8.406 2.187 4.244 108 1HD LYS 14 1HD LYS 14 -8.171 0.678 1.638 109 2HD LYS 14 2HD LYS 14 -8.616 2.360 1.799 110 1HE LYS 14 1HE LYS 14 -6.047 1.341 3.025 111 2HE LYS 14 2HE LYS 14 -6.128 1.854 1.333 112 1HZ LYS 14 1HZ LYS 14 -7.504 3.757 2.816 113 2HZ LYS 14 2HZ LYS 14 -6.034 3.490 3.619 114 3HZ LYS 14 3HZ LYS 14 -6.044 3.949 1.982 115 H LEU 15 H LEU 15 -5.257 -0.646 3.554 116 HA LEU 15 HA LEU 15 -4.499 0.533 1.216 117 1HB LEU 15 1HB LEU 15 -2.576 -1.484 1.395 118 2HB LEU 15 2HB LEU 15 -2.492 0.105 2.158 119 HG LEU 15 HG LEU 15 -3.541 -0.759 4.178 120 1HD1 LEU 15 1HD1 LEU 15 -4.238 -2.964 2.408 121 2HD1 LEU 15 2HD1 LEU 15 -3.537 -3.510 3.920 122 3HD1 LEU 15 3HD1 LEU 15 -4.975 -2.467 3.941 123 1HD2 LEU 15 1HD2 LEU 15 -1.036 -1.106 3.640 124 2HD2 LEU 15 2HD2 LEU 15 -1.724 -2.054 4.960 125 3HD2 LEU 15 3HD2 LEU 15 -1.473 -2.795 3.379 126 H LYS 16 H LYS 16 -5.684 -2.746 1.539 127 HA LYS 16 HA LYS 16 -4.878 -3.557 -1.098 128 1HB LYS 16 1HB LYS 16 -5.754 -5.584 -0.485 129 2HB LYS 16 2HB LYS 16 -5.512 -4.916 1.096 130 1HG LYS 16 1HG LYS 16 -7.814 -4.425 1.369 131 2HG LYS 16 2HG LYS 16 -8.137 -4.617 -0.346 132 1HD LYS 16 1HD LYS 16 -8.735 -6.718 0.072 133 2HD LYS 16 2HD LYS 16 -7.031 -7.034 0.370 134 1HE LYS 16 1HE LYS 16 -7.372 -6.364 2.753 135 2HE LYS 16 2HE LYS 16 -9.094 -6.194 2.424 136 1HZ LYS 16 1HZ LYS 16 -7.817 -8.706 1.656 137 2HZ LYS 16 2HZ LYS 16 -8.059 -8.434 3.316 138 3HZ LYS 16 3HZ LYS 16 -9.382 -8.421 2.255 139 H SER 17 H SER 17 -7.940 -2.682 0.428 140 HA SER 17 HA SER 17 -9.729 -2.751 -1.660 141 1HB SER 17 1HB SER 17 -10.752 -1.913 0.199 142 2HB SER 17 2HB SER 17 -9.358 -0.946 0.639 143 HG SER 17 HG SER 17 -11.516 -0.321 -0.941 144 H GLU 18 H GLU 18 -7.360 -0.210 -1.023 145 HA GLU 18 HA GLU 18 -8.084 1.341 -3.353 146 1HB GLU 18 1HB GLU 18 -5.412 1.471 -1.985 147 2HB GLU 18 2HB GLU 18 -6.335 2.762 -2.730 148 1HG GLU 18 1HG GLU 18 -6.990 1.353 -0.122 149 2HG GLU 18 2HG GLU 18 -6.545 3.037 -0.346 150 H LEU 19 H LEU 19 -5.183 -0.652 -2.598 151 HA LEU 19 HA LEU 19 -3.749 -0.642 -4.897 152 1HB LEU 19 1HB LEU 19 -4.526 -2.938 -3.139 153 2HB LEU 19 2HB LEU 19 -3.699 -3.290 -4.628 154 HG LEU 19 HG LEU 19 -2.503 -1.057 -3.145 155 1HD1 LEU 19 1HD1 LEU 19 -1.845 -3.407 -4.793 156 2HD1 LEU 19 2HD1 LEU 19 -1.122 -1.800 -4.789 157 3HD1 LEU 19 3HD1 LEU 19 -0.636 -2.989 -3.578 158 1HD2 LEU 19 1HD2 LEU 19 -2.970 -3.738 -1.902 159 2HD2 LEU 19 2HD2 LEU 19 -1.332 -3.097 -1.769 160 3HD2 LEU 19 3HD2 LEU 19 -2.693 -2.184 -1.111 161 H VAL 20 H VAL 20 -6.942 -2.111 -4.570 162 HA VAL 20 HA VAL 20 -6.961 -3.265 -7.238 163 HB VAL 20 HB VAL 20 -9.100 -2.680 -5.176 164 1HG1 VAL 20 1HG1 VAL 20 -7.830 -5.177 -6.321 165 2HG1 VAL 20 2HG1 VAL 20 -7.732 -4.585 -4.661 166 3HG1 VAL 20 3HG1 VAL 20 -9.260 -5.204 -5.289 167 1HG2 VAL 20 1HG2 VAL 20 -9.419 -3.052 -8.038 168 2HG2 VAL 20 2HG2 VAL 20 -10.166 -4.381 -7.151 169 3HG2 VAL 20 3HG2 VAL 20 -10.648 -2.718 -6.818 170 H ALA 21 H ALA 21 -8.550 -0.433 -5.770 171 HA ALA 21 HA ALA 21 -9.669 0.634 -8.153 172 1HB ALA 21 1HB ALA 21 -9.801 2.743 -6.892 173 2HB ALA 21 2HB ALA 21 -10.265 1.383 -5.866 174 3HB ALA 21 3HB ALA 21 -8.661 2.108 -5.701 175 H ASN 22 H ASN 22 -6.395 0.416 -7.200 176 HA ASN 22 HA ASN 22 -5.640 2.734 -8.890 177 1HB ASN 22 1HB ASN 22 -3.940 1.022 -7.048 178 2HB ASN 22 2HB ASN 22 -3.445 2.545 -7.797 179 2HD2 ASN 22 2HD2 ASN 22 -4.645 1.386 -4.852 180 1HD2 ASN 22 1HD2 ASN 22 -5.537 2.747 -4.378 181 H ASN 23 H ASN 23 -4.231 -0.559 -8.434 182 HA ASN 23 HA ASN 23 -4.570 -1.402 -11.111 183 1HB ASN 23 1HB ASN 23 -2.865 0.746 -11.098 184 2HB ASN 23 2HB ASN 23 -1.734 -0.603 -10.995 185 2HD2 ASN 23 2HD2 ASN 23 -3.741 -2.383 -12.471 186 1HD2 ASN 23 1HD2 ASN 23 -3.605 -1.914 -14.099 187 H VAL 24 H VAL 24 -4.624 -2.722 -8.702 188 HA VAL 24 HA VAL 24 -2.458 -4.699 -9.078 189 HB VAL 24 HB VAL 24 -3.093 -3.683 -6.316 190 1HG1 VAL 24 1HG1 VAL 24 -1.297 -5.620 -7.538 191 2HG1 VAL 24 2HG1 VAL 24 -0.404 -4.436 -6.583 192 3HG1 VAL 24 3HG1 VAL 24 -1.687 -5.387 -5.833 193 1HG2 VAL 24 1HG2 VAL 24 -1.158 -2.548 -8.339 194 2HG2 VAL 24 2HG2 VAL 24 -2.363 -1.687 -7.381 195 3HG2 VAL 24 3HG2 VAL 24 -0.919 -2.338 -6.606 196 H THR 25 H THR 25 -3.462 -6.695 -9.080 197 HA THR 25 HA THR 25 -6.228 -6.921 -8.227 198 HB THR 25 HB THR 25 -5.205 -9.491 -8.547 199 HG1 THR 25 HG1 THR 25 -4.153 -9.098 -10.666 200 1HG2 THR 25 1HG2 THR 25 -7.342 -8.554 -9.406 201 2HG2 THR 25 2HG2 THR 25 -6.432 -7.685 -10.643 202 3HG2 THR 25 3HG2 THR 25 -6.456 -9.449 -10.642 203 H LEU 26 H LEU 26 -6.916 -8.557 -6.614 204 HA LEU 26 HA LEU 26 -4.974 -8.679 -4.349 205 1HB LEU 26 1HB LEU 26 -7.996 -8.768 -4.242 206 2HB LEU 26 2HB LEU 26 -6.932 -8.750 -2.857 207 HG LEU 26 HG LEU 26 -8.074 -6.583 -4.153 208 1HD1 LEU 26 1HD1 LEU 26 -5.139 -6.753 -4.708 209 2HD1 LEU 26 2HD1 LEU 26 -6.443 -6.318 -5.810 210 3HD1 LEU 26 3HD1 LEU 26 -5.949 -5.198 -4.543 211 1HD2 LEU 26 1HD2 LEU 26 -6.693 -7.155 -1.761 212 2HD2 LEU 26 2HD2 LEU 26 -5.982 -5.690 -2.454 213 3HD2 LEU 26 3HD2 LEU 26 -7.714 -5.763 -2.119 214 HA PRO 27 HA PRO 27 -5.433 -13.048 -5.392 215 1HB PRO 27 1HB PRO 27 -3.087 -13.800 -4.162 216 2HB PRO 27 2HB PRO 27 -3.152 -13.112 -5.792 217 1HG PRO 27 1HG PRO 27 -2.274 -11.828 -3.254 218 2HG PRO 27 2HG PRO 27 -1.780 -11.484 -4.919 219 1HD PRO 27 1HD PRO 27 -3.630 -9.998 -3.390 220 2HD PRO 27 2HD PRO 27 -3.378 -9.852 -5.136 221 H ALA 28 H ALA 28 -3.687 -12.738 -2.309 222 HA ALA 28 HA ALA 28 -4.727 -14.781 -0.857 223 1HB ALA 28 1HB ALA 28 -3.366 -13.627 0.558 224 2HB ALA 28 2HB ALA 28 -4.854 -12.841 1.097 225 3HB ALA 28 3HB ALA 28 -3.823 -12.066 -0.117 226 H GLY 29 H GLY 29 -6.445 -11.725 -1.419 227 1HA GLY 29 1HA GLY 29 -8.969 -13.067 -0.579 228 2HA GLY 29 2HA GLY 29 -8.858 -11.498 -1.414 229 H GLU 30 H GLU 30 -7.199 -12.867 1.395 230 HA GLU 30 HA GLU 30 -8.094 -10.573 3.061 231 1HB GLU 30 1HB GLU 30 -8.477 -13.159 3.691 232 2HB GLU 30 2HB GLU 30 -6.811 -13.007 4.250 233 1HG GLU 30 1HG GLU 30 -7.398 -11.686 6.004 234 2HG GLU 30 2HG GLU 30 -8.554 -10.766 5.041 235 H GLN 31 H GLN 31 -5.711 -11.589 4.830 236 HA GLN 31 HA GLN 31 -3.589 -10.369 3.133 237 1HB GLN 31 1HB GLN 31 -4.056 -10.058 6.131 238 2HB GLN 31 2HB GLN 31 -2.525 -9.646 5.379 239 1HG GLN 31 1HG GLN 31 -3.921 -7.692 5.643 240 2HG GLN 31 2HG GLN 31 -3.650 -7.982 3.945 241 2HE2 GLN 31 2HE2 GLN 31 -5.900 -9.930 5.919 242 1HE2 GLN 31 1HE2 GLN 31 -7.321 -9.348 5.200 243 H ARG 32 H ARG 32 -1.814 -11.413 2.870 244 HA ARG 32 HA ARG 32 -1.608 -14.180 3.670 245 1HB ARG 32 1HB ARG 32 -0.447 -12.205 1.790 246 2HB ARG 32 2HB ARG 32 0.650 -13.461 2.285 247 1HG ARG 32 1HG ARG 32 -0.475 -15.063 1.093 248 2HG ARG 32 2HG ARG 32 -2.047 -14.399 1.535 249 1HD ARG 32 1HD ARG 32 -1.690 -14.125 -0.879 250 2HD ARG 32 2HD ARG 32 -1.705 -12.536 -0.100 251 HE ARG 32 HE ARG 32 0.843 -12.692 -0.181 252 1HH1 ARG 32 1HH1 ARG 32 0.685 -15.563 -1.289 253 2HH1 ARG 32 2HH1 ARG 32 1.046 -15.279 -2.959 254 1HH2 ARG 32 1HH2 ARG 32 0.504 -11.859 -2.768 255 2HH2 ARG 32 2HH2 ARG 32 0.943 -13.181 -3.796 256 H LYS 33 H LYS 33 0.302 -11.224 4.082 257 HA LYS 33 HA LYS 33 1.026 -11.635 6.782 258 1HB LYS 33 1HB LYS 33 2.295 -13.568 5.494 259 2HB LYS 33 2HB LYS 33 3.386 -12.266 5.023 260 1HG LYS 33 1HG LYS 33 4.125 -13.406 7.113 261 2HG LYS 33 2HG LYS 33 3.773 -11.698 7.371 262 1HD LYS 33 1HD LYS 33 1.893 -12.133 8.625 263 2HD LYS 33 2HD LYS 33 1.517 -13.611 7.737 264 1HE LYS 33 1HE LYS 33 3.047 -14.893 8.972 265 2HE LYS 33 2HE LYS 33 3.968 -13.477 9.480 266 1HZ LYS 33 1HZ LYS 33 2.039 -12.785 10.806 267 2HZ LYS 33 2HZ LYS 33 1.237 -14.220 10.377 268 3HZ LYS 33 3HZ LYS 33 2.656 -14.287 11.304 269 H ASP 34 H ASP 34 0.483 -9.336 6.489 270 HA ASP 34 HA ASP 34 1.011 -7.087 5.964 271 1HB ASP 34 1HB ASP 34 3.260 -8.224 7.157 272 2HB ASP 34 2HB ASP 34 3.906 -7.608 5.633 273 H VAL 35 H VAL 35 0.256 -8.795 3.874 274 HA VAL 35 HA VAL 35 2.185 -8.408 1.708 275 HB VAL 35 HB VAL 35 -0.428 -9.916 1.935 276 1HG1 VAL 35 1HG1 VAL 35 2.435 -10.381 2.067 277 2HG1 VAL 35 2HG1 VAL 35 1.121 -11.484 2.450 278 3HG1 VAL 35 3HG1 VAL 35 1.719 -11.360 0.794 279 1HG2 VAL 35 1HG2 VAL 35 0.788 -8.737 -0.469 280 2HG2 VAL 35 2HG2 VAL 35 0.547 -10.490 -0.554 281 3HG2 VAL 35 3HG2 VAL 35 -0.821 -9.425 -0.217 282 H TYR 36 H TYR 36 -1.349 -7.511 1.959 283 HA TYR 36 HA TYR 36 -1.325 -5.799 -0.233 284 1HB TYR 36 1HB TYR 36 -2.691 -5.439 2.440 285 2HB TYR 36 2HB TYR 36 -3.064 -4.532 0.994 286 HD1 TYR 36 HD1 TYR 36 -4.502 -6.735 2.836 287 HD2 TYR 36 HD2 TYR 36 -2.894 -6.604 -1.119 288 HE1 TYR 36 HE1 TYR 36 -6.023 -8.557 2.167 289 HE2 TYR 36 HE2 TYR 36 -4.418 -8.428 -1.805 290 HH TYR 36 HH TYR 36 -5.680 -10.454 -0.230 291 H VAL 37 H VAL 37 0.232 -5.478 2.843 292 HA VAL 37 HA VAL 37 0.704 -2.627 2.591 293 HB VAL 37 HB VAL 37 1.744 -4.806 4.414 294 1HG1 VAL 37 1HG1 VAL 37 -0.579 -3.752 4.675 295 2HG1 VAL 37 2HG1 VAL 37 0.481 -3.626 6.087 296 3HG1 VAL 37 3HG1 VAL 37 0.259 -2.236 5.032 297 1HG2 VAL 37 1HG2 VAL 37 2.713 -1.975 4.044 298 2HG2 VAL 37 2HG2 VAL 37 2.776 -2.734 5.635 299 3HG2 VAL 37 3HG2 VAL 37 3.658 -3.445 4.283 300 H GLN 38 H GLN 38 2.943 -5.447 2.571 301 HA GLN 38 HA GLN 38 5.131 -4.097 1.373 302 1HB GLN 38 1HB GLN 38 4.376 -6.836 1.908 303 2HB GLN 38 2HB GLN 38 5.046 -6.727 0.284 304 1HG GLN 38 1HG GLN 38 6.704 -7.137 2.214 305 2HG GLN 38 2HG GLN 38 7.111 -5.860 1.073 306 2HE2 GLN 38 2HE2 GLN 38 6.013 -6.505 4.372 307 1HE2 GLN 38 1HE2 GLN 38 6.228 -4.918 4.938 308 H LEU 39 H LEU 39 2.825 -6.242 -0.273 309 HA LEU 39 HA LEU 39 3.209 -5.877 -2.932 310 1HB LEU 39 1HB LEU 39 0.754 -6.092 -1.294 311 2HB LEU 39 2HB LEU 39 0.477 -5.358 -2.875 312 HG LEU 39 HG LEU 39 2.048 -7.919 -2.578 313 1HD1 LEU 39 1HD1 LEU 39 -0.571 -7.683 -1.788 314 2HD1 LEU 39 2HD1 LEU 39 -0.754 -8.059 -3.500 315 3HD1 LEU 39 3HD1 LEU 39 0.136 -9.160 -2.449 316 1HD2 LEU 39 1HD2 LEU 39 0.960 -6.207 -4.739 317 2HD2 LEU 39 2HD2 LEU 39 2.361 -7.283 -4.751 318 3HD2 LEU 39 3HD2 LEU 39 0.740 -7.944 -4.965 319 H TYR 40 H TYR 40 1.447 -3.477 -0.943 320 HA TYR 40 HA TYR 40 1.024 -1.514 -2.854 321 1HB TYR 40 1HB TYR 40 0.139 -0.598 -0.999 322 2HB TYR 40 2HB TYR 40 0.985 -1.777 -0.007 323 HD1 TYR 40 HD1 TYR 40 2.360 -0.927 1.662 324 HD2 TYR 40 HD2 TYR 40 1.888 1.313 -1.969 325 HE1 TYR 40 HE1 TYR 40 3.852 0.835 2.553 326 HE2 TYR 40 HE2 TYR 40 3.353 3.091 -1.056 327 HH TYR 40 HH TYR 40 4.687 2.862 2.231 328 H LEU 41 H LEU 41 3.881 -1.633 -0.650 329 HA LEU 41 HA LEU 41 5.203 0.508 -1.972 330 1HB LEU 41 1HB LEU 41 5.672 -0.918 0.295 331 2HB LEU 41 2HB LEU 41 6.914 -1.592 -0.754 332 HG LEU 41 HG LEU 41 7.474 0.894 -1.316 333 1HD1 LEU 41 1HD1 LEU 41 8.128 -0.733 1.080 334 2HD1 LEU 41 2HD1 LEU 41 9.192 -0.085 -0.168 335 3HD1 LEU 41 3HD1 LEU 41 8.616 0.960 1.130 336 1HD2 LEU 41 1HD2 LEU 41 5.733 1.146 1.158 337 2HD2 LEU 41 2HD2 LEU 41 7.006 2.315 0.807 338 3HD2 LEU 41 3HD2 LEU 41 5.677 2.101 -0.328 339 H GLN 42 H GLN 42 4.838 -2.807 -2.924 340 HA GLN 42 HA GLN 42 7.229 -2.948 -4.558 341 1HB GLN 42 1HB GLN 42 5.593 -4.829 -3.613 342 2HB GLN 42 2HB GLN 42 4.874 -4.648 -5.210 343 1HG GLN 42 1HG GLN 42 7.731 -5.378 -4.535 344 2HG GLN 42 2HG GLN 42 6.555 -6.332 -5.438 345 2HE2 GLN 42 2HE2 GLN 42 5.801 -5.295 -7.576 346 1HE2 GLN 42 1HE2 GLN 42 6.935 -4.381 -8.447 347 H HIS 43 H HIS 43 3.786 -2.820 -5.594 348 HA HIS 43 HA HIS 43 4.614 -1.958 -8.285 349 1HB HIS 43 1HB HIS 43 1.774 -1.928 -7.308 350 2HB HIS 43 2HB HIS 43 2.397 -2.345 -8.916 351 HD1 HIS 43 HD1 HIS 43 3.199 -4.769 -9.286 352 HD2 HIS 43 HD2 HIS 43 1.993 -3.971 -5.382 353 HE1 HIS 43 HE1 HIS 43 3.082 -7.011 -8.110 354 H LEU 44 H LEU 44 3.107 -0.620 -5.428 355 HA LEU 44 HA LEU 44 2.612 1.936 -6.799 356 1HB LEU 44 1HB LEU 44 2.202 1.203 -3.888 357 2HB LEU 44 2HB LEU 44 1.612 2.646 -4.688 358 HG LEU 44 HG LEU 44 0.418 -0.074 -4.624 359 1HD1 LEU 44 1HD1 LEU 44 -0.341 2.461 -4.187 360 2HD1 LEU 44 2HD1 LEU 44 -0.918 2.282 -5.835 361 3HD1 LEU 44 3HD1 LEU 44 -1.478 1.176 -4.581 362 1HD2 LEU 44 1HD2 LEU 44 1.088 1.202 -7.265 363 2HD2 LEU 44 2HD2 LEU 44 0.743 -0.485 -6.899 364 3HD2 LEU 44 3HD2 LEU 44 -0.571 0.677 -7.041 365 H THR 45 H THR 45 5.110 0.470 -4.882 366 HA THR 45 HA THR 45 7.063 1.413 -3.943 367 HB THR 45 HB THR 45 7.623 3.465 -5.723 368 HG1 THR 45 HG1 THR 45 6.486 1.444 -7.276 369 1HG2 THR 45 1HG2 THR 45 8.091 0.478 -5.807 370 2HG2 THR 45 2HG2 THR 45 8.859 1.587 -6.946 371 3HG2 THR 45 3HG2 THR 45 9.195 1.723 -5.219 372 H ALA 46 H ALA 46 4.428 2.767 -3.188 373 HA ALA 46 HA ALA 46 3.734 4.737 -2.148 374 1HB ALA 46 1HB ALA 46 5.251 4.030 -0.405 375 2HB ALA 46 2HB ALA 46 5.509 5.757 -0.656 376 3HB ALA 46 3HB ALA 46 6.650 4.588 -1.322 377 H ARG 47 H ARG 47 4.001 5.189 -4.675 378 HA ARG 47 HA ARG 47 5.421 6.682 -6.228 379 1HB ARG 47 1HB ARG 47 3.254 8.435 -5.918 380 2HB ARG 47 2HB ARG 47 3.338 7.094 -7.024 381 1HG ARG 47 1HG ARG 47 2.651 6.516 -4.167 382 2HG ARG 47 2HG ARG 47 1.440 7.346 -5.112 383 1HD ARG 47 1HD ARG 47 1.987 4.589 -5.085 384 2HD ARG 47 2HD ARG 47 0.873 5.409 -6.158 385 HE ARG 47 HE ARG 47 3.726 5.294 -6.936 386 1HH1 ARG 47 1HH1 ARG 47 3.357 5.513 -9.324 387 2HH1 ARG 47 2HH1 ARG 47 2.324 4.304 -10.011 388 1HH2 ARG 47 1HH2 ARG 47 1.136 3.198 -6.947 389 2HH2 ARG 47 2HH2 ARG 47 1.067 2.993 -8.665 390 H ASN 48 H ASN 48 3.630 8.950 -4.170 391 HA ASN 48 HA ASN 48 6.033 10.685 -4.115 392 1HB ASN 48 1HB ASN 48 3.883 11.808 -2.563 393 2HB ASN 48 2HB ASN 48 4.518 12.360 -4.114 394 2HD2 ASN 48 2HD2 ASN 48 3.805 10.706 -6.001 395 1HD2 ASN 48 1HD2 ASN 48 2.164 10.339 -5.971 396 H ARG 49 H ARG 49 7.278 9.272 -2.654 397 HA ARG 49 HA ARG 49 6.630 8.362 -0.121 398 1HB ARG 49 1HB ARG 49 9.142 9.872 -0.865 399 2HB ARG 49 2HB ARG 49 8.927 8.960 0.621 400 1HG ARG 49 1HG ARG 49 8.612 6.886 -0.632 401 2HG ARG 49 2HG ARG 49 8.644 7.764 -2.160 402 1HD ARG 49 1HD ARG 49 10.900 7.720 -2.215 403 2HD ARG 49 2HD ARG 49 11.016 8.344 -0.569 404 HE ARG 49 HE ARG 49 10.273 5.659 -0.294 405 1HH1 ARG 49 1HH1 ARG 49 11.699 4.277 -2.009 406 2HH1 ARG 49 2HH1 ARG 49 13.384 4.454 -1.651 407 1HH2 ARG 49 1HH2 ARG 49 12.941 7.281 0.308 408 2HH2 ARG 49 2HH2 ARG 49 14.087 6.156 -0.339 409 HA PRO 50 HA PRO 50 5.745 11.967 2.176 410 1HB PRO 50 1HB PRO 50 6.111 10.988 4.720 411 2HB PRO 50 2HB PRO 50 4.688 10.624 3.729 412 1HG PRO 50 1HG PRO 50 7.024 8.887 4.387 413 2HG PRO 50 2HG PRO 50 5.376 8.423 3.941 414 1HD PRO 50 1HD PRO 50 7.657 8.406 2.236 415 2HD PRO 50 2HD PRO 50 5.964 8.188 1.743 416 HA PRO 51 HA PRO 51 9.985 13.333 2.809 417 1HB PRO 51 1HB PRO 51 9.432 15.994 2.414 418 2HB PRO 51 2HB PRO 51 9.714 14.844 1.097 419 1HG PRO 51 1HG PRO 51 7.151 16.051 2.028 420 2HG PRO 51 2HG PRO 51 7.574 15.416 0.431 421 1HD PRO 51 1HD PRO 51 6.036 14.095 2.426 422 2HD PRO 51 2HD PRO 51 6.663 13.369 0.934 423 H LEU 52 H LEU 52 9.750 12.764 5.133 424 HA LEU 52 HA LEU 52 9.565 15.186 6.799 425 1HB LEU 52 1HB LEU 52 8.094 13.597 8.406 426 2HB LEU 52 2HB LEU 52 7.360 14.699 7.243 427 HG LEU 52 HG LEU 52 7.302 12.852 5.570 428 1HD1 LEU 52 1HD1 LEU 52 8.370 11.260 7.926 429 2HD1 LEU 52 2HD1 LEU 52 7.676 10.520 6.482 430 3HD1 LEU 52 3HD1 LEU 52 9.147 11.486 6.359 431 1HD2 LEU 52 1HD2 LEU 52 5.990 12.238 8.243 432 2HD2 LEU 52 2HD2 LEU 52 5.331 13.282 6.984 433 3HD2 LEU 52 3HD2 LEU 52 5.501 11.549 6.695 434 HA PRO 53 HA PRO 53 12.697 13.052 9.011 435 1HB PRO 53 1HB PRO 53 12.459 14.316 11.443 436 2HB PRO 53 2HB PRO 53 13.187 15.070 10.014 437 1HG PRO 53 1HG PRO 53 10.508 15.552 11.247 438 2HG PRO 53 2HG PRO 53 11.512 16.650 10.290 439 1HD PRO 53 1HD PRO 53 9.253 15.216 9.353 440 2HD PRO 53 2HD PRO 53 10.452 16.050 8.344 441 H ALA 54 H ALA 54 12.687 12.508 11.800 442 HA ALA 54 HA ALA 54 10.359 11.221 12.771 443 1HB ALA 54 1HB ALA 54 11.537 9.907 10.544 444 2HB ALA 54 2HB ALA 54 11.876 8.918 11.969 445 3HB ALA 54 3HB ALA 54 10.209 9.330 11.560 446 H GLY 55 H GLY 55 11.173 9.217 14.274 447 1HA GLY 55 1HA GLY 55 12.422 9.884 16.478 448 2HA GLY 55 2HA GLY 55 13.833 9.933 15.419 449 H THR 56 H THR 56 12.271 7.603 13.952 450 HA THR 56 HA THR 56 12.975 5.450 15.893 451 HB THR 56 HB THR 56 10.741 5.151 15.127 452 HG1 THR 56 HG1 THR 56 12.408 3.610 13.427 453 1HG2 THR 56 1HG2 THR 56 11.848 5.722 12.363 454 2HG2 THR 56 2HG2 THR 56 10.200 5.179 12.676 455 3HG2 THR 56 3HG2 THR 56 10.745 6.740 13.289 No H/Q in entry = 455 Start of MODEL 4 1 H2 PRO 1 H2 PRO 1 -3.582 11.675 -8.089 2 H3 PRO 1 H3 PRO 1 -4.898 11.705 -9.165 3 HA PRO 1 HA PRO 1 -5.786 9.972 -8.119 4 1HB PRO 1 1HB PRO 1 -3.678 8.030 -8.207 5 2HB PRO 1 2HB PRO 1 -5.101 8.134 -9.244 6 1HG PRO 1 1HG PRO 1 -2.420 8.637 -9.958 7 2HG PRO 1 2HG PRO 1 -3.861 8.867 -10.956 8 1HD PRO 1 1HD PRO 1 -2.207 10.934 -9.637 9 2HD PRO 1 2HD PRO 1 -3.516 11.177 -10.803 10 H GLU 2 H GLU 2 -2.312 9.896 -7.223 11 HA GLU 2 HA GLU 2 -1.304 9.829 -5.104 12 1HB GLU 2 1HB GLU 2 -2.817 11.878 -4.839 13 2HB GLU 2 2HB GLU 2 -3.960 10.807 -4.030 14 1HG GLU 2 1HG GLU 2 -2.799 11.108 -2.123 15 2HG GLU 2 2HG GLU 2 -1.442 10.267 -2.872 16 H PHE 3 H PHE 3 -0.995 8.140 -3.723 17 HA PHE 3 HA PHE 3 -3.326 6.475 -2.930 18 1HB PHE 3 1HB PHE 3 -2.672 5.043 -4.635 19 2HB PHE 3 2HB PHE 3 -1.047 5.724 -4.692 20 HD1 PHE 3 HD1 PHE 3 0.530 5.223 -2.836 21 HD2 PHE 3 HD2 PHE 3 -2.989 2.929 -3.626 22 HE1 PHE 3 HE1 PHE 3 1.503 3.304 -1.657 23 HE2 PHE 3 HE2 PHE 3 -2.017 1.025 -2.429 24 HZ PHE 3 HZ PHE 3 0.206 1.165 -1.491 25 H LEU 4 H LEU 4 -2.686 4.994 -1.114 26 HA LEU 4 HA LEU 4 -1.492 6.399 1.016 27 1HB LEU 4 1HB LEU 4 -1.062 4.050 2.000 28 2HB LEU 4 2HB LEU 4 -2.725 4.451 1.620 29 HG LEU 4 HG LEU 4 -1.558 3.443 -0.750 30 1HD1 LEU 4 1HD1 LEU 4 -0.747 2.099 1.780 31 2HD1 LEU 4 2HD1 LEU 4 -1.095 1.098 0.376 32 3HD1 LEU 4 3HD1 LEU 4 0.176 2.316 0.307 33 1HD2 LEU 4 1HD2 LEU 4 -3.467 2.231 1.264 34 2HD2 LEU 4 2HD2 LEU 4 -3.912 3.239 -0.112 35 3HD2 LEU 4 3HD2 LEU 4 -3.228 1.634 -0.377 36 H GLU 5 H GLU 5 0.474 7.355 0.281 37 HA GLU 5 HA GLU 5 2.637 5.754 -0.792 38 1HB GLU 5 1HB GLU 5 2.663 8.510 0.484 39 2HB GLU 5 2HB GLU 5 4.009 7.791 -0.399 40 1HG GLU 5 1HG GLU 5 2.674 7.714 -2.458 41 2HG GLU 5 2HG GLU 5 1.254 8.286 -1.597 42 H ASP 6 H ASP 6 1.263 5.942 2.233 43 HA ASP 6 HA ASP 6 3.366 4.366 3.466 44 1HB ASP 6 1HB ASP 6 2.995 7.261 4.144 45 2HB ASP 6 2HB ASP 6 3.307 6.135 5.465 46 HA PRO 7 HA PRO 7 -0.896 3.538 4.817 47 1HB PRO 7 1HB PRO 7 -0.596 0.804 4.747 48 2HB PRO 7 2HB PRO 7 -1.118 1.778 3.371 49 1HG PRO 7 1HG PRO 7 1.510 0.471 3.883 50 2HG PRO 7 2HG PRO 7 0.788 0.959 2.346 51 1HD PRO 7 1HD PRO 7 2.858 2.335 3.752 52 2HD PRO 7 2HD PRO 7 1.957 2.948 2.353 53 H SER 8 H SER 8 0.668 4.362 6.851 54 HA SER 8 HA SER 8 0.972 2.038 8.691 55 1HB SER 8 1HB SER 8 2.410 3.411 10.013 56 2HB SER 8 2HB SER 8 2.867 3.736 8.341 57 HG SER 8 HG SER 8 1.049 5.439 8.691 58 H VAL 9 H VAL 9 -1.361 4.205 7.829 59 HA VAL 9 HA VAL 9 -2.415 4.401 10.588 60 HB VAL 9 HB VAL 9 -2.182 6.302 8.363 61 1HG1 VAL 9 1HG1 VAL 9 -4.593 5.857 8.296 62 2HG1 VAL 9 2HG1 VAL 9 -4.707 6.241 10.015 63 3HG1 VAL 9 3HG1 VAL 9 -4.243 7.493 8.859 64 1HG2 VAL 9 1HG2 VAL 9 -1.065 6.480 10.540 65 2HG2 VAL 9 2HG2 VAL 9 -2.094 7.873 10.205 66 3HG2 VAL 9 3HG2 VAL 9 -2.639 6.622 11.324 67 H LEU 10 H LEU 10 -2.874 2.753 7.680 68 HA LEU 10 HA LEU 10 -5.825 2.655 8.091 69 1HB LEU 10 1HB LEU 10 -5.477 1.194 5.806 70 2HB LEU 10 2HB LEU 10 -5.770 2.931 5.814 71 HG LEU 10 HG LEU 10 -2.992 1.728 5.850 72 1HD1 LEU 10 1HD1 LEU 10 -4.200 1.188 3.750 73 2HD1 LEU 10 2HD1 LEU 10 -4.556 2.897 3.551 74 3HD1 LEU 10 3HD1 LEU 10 -2.894 2.338 3.471 75 1HD2 LEU 10 1HD2 LEU 10 -4.063 4.376 6.247 76 2HD2 LEU 10 2HD2 LEU 10 -2.375 3.866 6.277 77 3HD2 LEU 10 3HD2 LEU 10 -3.123 4.349 4.755 78 H THR 11 H THR 11 -3.767 0.077 6.779 79 HA THR 11 HA THR 11 -3.510 -1.713 8.840 80 HB THR 11 HB THR 11 -5.786 -1.479 9.491 81 HG1 THR 11 HG1 THR 11 -6.198 -3.609 7.777 82 1HG2 THR 11 1HG2 THR 11 -6.188 -1.315 6.542 83 2HG2 THR 11 2HG2 THR 11 -7.537 -1.903 7.521 84 3HG2 THR 11 3HG2 THR 11 -6.875 -0.285 7.812 85 H LYS 12 H LYS 12 -4.133 -4.113 7.924 86 HA LYS 12 HA LYS 12 -3.073 -4.101 5.176 87 1HB LYS 12 1HB LYS 12 -3.112 -6.027 7.375 88 2HB LYS 12 2HB LYS 12 -3.689 -6.772 5.884 89 1HG LYS 12 1HG LYS 12 -1.497 -7.060 5.374 90 2HG LYS 12 2HG LYS 12 -1.460 -5.329 5.032 91 1HD LYS 12 1HD LYS 12 0.318 -5.833 6.610 92 2HD LYS 12 2HD LYS 12 -0.932 -4.918 7.452 93 1HE LYS 12 1HE LYS 12 -1.899 -7.243 8.092 94 2HE LYS 12 2HE LYS 12 -0.312 -7.863 7.636 95 1HZ LYS 12 1HZ LYS 12 -0.626 -5.598 9.509 96 2HZ LYS 12 2HZ LYS 12 -0.646 -7.207 10.044 97 3HZ LYS 12 3HZ LYS 12 0.733 -6.588 9.269 98 H ASP 13 H ASP 13 -5.556 -2.946 5.278 99 HA ASP 13 HA ASP 13 -7.190 -4.857 3.713 100 1HB ASP 13 1HB ASP 13 -7.796 -4.534 6.375 101 2HB ASP 13 2HB ASP 13 -8.746 -3.235 5.655 102 H LYS 14 H LYS 14 -6.990 -1.471 4.988 103 HA LYS 14 HA LYS 14 -8.642 -0.360 2.926 104 1HB LYS 14 1HB LYS 14 -7.787 0.760 5.074 105 2HB LYS 14 2HB LYS 14 -6.293 1.034 4.193 106 1HG LYS 14 1HG LYS 14 -9.058 2.049 3.480 107 2HG LYS 14 2HG LYS 14 -7.665 3.004 3.966 108 1HD LYS 14 1HD LYS 14 -7.946 1.416 1.403 109 2HD LYS 14 2HD LYS 14 -7.927 3.167 1.544 110 1HE LYS 14 1HE LYS 14 -5.596 1.672 2.672 111 2HE LYS 14 2HE LYS 14 -5.718 1.809 0.919 112 1HZ LYS 14 1HZ LYS 14 -5.977 4.212 1.145 113 2HZ LYS 14 2HZ LYS 14 -5.799 4.082 2.827 114 3HZ LYS 14 3HZ LYS 14 -4.505 3.686 1.803 115 H LEU 15 H LEU 15 -5.118 -0.380 3.306 116 HA LEU 15 HA LEU 15 -4.271 0.586 0.888 117 1HB LEU 15 1HB LEU 15 -2.594 -1.612 1.134 118 2HB LEU 15 2HB LEU 15 -2.338 -0.025 1.871 119 HG LEU 15 HG LEU 15 -3.454 -0.732 3.901 120 1HD1 LEU 15 1HD1 LEU 15 -4.412 -2.837 2.151 121 2HD1 LEU 15 2HD1 LEU 15 -3.738 -3.474 3.642 122 3HD1 LEU 15 3HD1 LEU 15 -5.050 -2.281 3.709 123 1HD2 LEU 15 1HD2 LEU 15 -1.031 -1.290 3.495 124 2HD2 LEU 15 2HD2 LEU 15 -1.839 -2.336 4.665 125 3HD2 LEU 15 3HD2 LEU 15 -1.558 -2.905 3.018 126 H LYS 16 H LYS 16 -5.960 -2.370 1.432 127 HA LYS 16 HA LYS 16 -5.415 -3.522 -1.185 128 1HB LYS 16 1HB LYS 16 -6.788 -4.173 1.331 129 2HB LYS 16 2HB LYS 16 -7.759 -4.611 -0.055 130 1HG LYS 16 1HG LYS 16 -6.014 -5.994 -0.906 131 2HG LYS 16 2HG LYS 16 -4.884 -5.418 0.288 132 1HD LYS 16 1HD LYS 16 -7.474 -6.698 1.103 133 2HD LYS 16 2HD LYS 16 -6.104 -7.705 0.659 134 1HE LYS 16 1HE LYS 16 -6.638 -6.482 3.165 135 2HE LYS 16 2HE LYS 16 -5.257 -7.455 2.721 136 1HZ LYS 16 1HZ LYS 16 -4.497 -5.138 1.706 137 2HZ LYS 16 2HZ LYS 16 -5.482 -4.568 2.943 138 3HZ LYS 16 3HZ LYS 16 -4.173 -5.590 3.284 139 H SER 17 H SER 17 -8.289 -2.205 0.466 140 HA SER 17 HA SER 17 -10.126 -2.066 -1.584 141 1HB SER 17 1HB SER 17 -10.701 -1.274 0.598 142 2HB SER 17 2HB SER 17 -9.474 -0.026 0.513 143 HG SER 17 HG SER 17 -11.551 0.797 0.047 144 H GLU 18 H GLU 18 -7.260 -0.203 -1.128 145 HA GLU 18 HA GLU 18 -7.854 1.668 -3.306 146 1HB GLU 18 1HB GLU 18 -5.362 1.206 -1.681 147 2HB GLU 18 2HB GLU 18 -5.595 2.562 -2.756 148 1HG GLU 18 1HG GLU 18 -7.337 1.902 -0.347 149 2HG GLU 18 2HG GLU 18 -6.066 3.118 -0.342 150 H LEU 19 H LEU 19 -5.184 -0.696 -2.722 151 HA LEU 19 HA LEU 19 -3.919 -0.753 -5.125 152 1HB LEU 19 1HB LEU 19 -4.706 -3.033 -3.335 153 2HB LEU 19 2HB LEU 19 -3.897 -3.362 -4.840 154 HG LEU 19 HG LEU 19 -2.641 -1.186 -3.332 155 1HD1 LEU 19 1HD1 LEU 19 -2.034 -2.870 -5.358 156 2HD1 LEU 19 2HD1 LEU 19 -0.810 -2.083 -4.366 157 3HD1 LEU 19 3HD1 LEU 19 -1.299 -3.748 -4.015 158 1HD2 LEU 19 1HD2 LEU 19 -3.406 -3.666 -1.990 159 2HD2 LEU 19 2HD2 LEU 19 -1.652 -3.475 -2.040 160 3HD2 LEU 19 3HD2 LEU 19 -2.656 -2.223 -1.305 161 H VAL 20 H VAL 20 -7.051 -2.353 -4.519 162 HA VAL 20 HA VAL 20 -7.368 -3.499 -7.099 163 HB VAL 20 HB VAL 20 -9.345 -2.485 -5.041 164 1HG1 VAL 20 1HG1 VAL 20 -8.182 -5.113 -5.888 165 2HG1 VAL 20 2HG1 VAL 20 -8.479 -4.491 -4.264 166 3HG1 VAL 20 3HG1 VAL 20 -9.822 -5.090 -5.238 167 1HG2 VAL 20 1HG2 VAL 20 -9.878 -3.711 -7.761 168 2HG2 VAL 20 2HG2 VAL 20 -11.064 -3.727 -6.455 169 3HG2 VAL 20 3HG2 VAL 20 -10.507 -2.192 -7.122 170 H ALA 21 H ALA 21 -8.491 -0.354 -5.850 171 HA ALA 21 HA ALA 21 -9.452 0.619 -8.378 172 1HB ALA 21 1HB ALA 21 -9.531 2.793 -7.256 173 2HB ALA 21 2HB ALA 21 -10.120 1.543 -6.159 174 3HB ALA 21 3HB ALA 21 -8.486 2.186 -5.968 175 H ASN 22 H ASN 22 -6.277 0.165 -7.208 176 HA ASN 22 HA ASN 22 -5.247 2.201 -9.130 177 1HB ASN 22 1HB ASN 22 -3.662 0.909 -6.895 178 2HB ASN 22 2HB ASN 22 -3.282 2.401 -7.757 179 2HD2 ASN 22 2HD2 ASN 22 -4.591 1.328 -4.841 180 1HD2 ASN 22 1HD2 ASN 22 -5.599 2.638 -4.483 181 H ASN 23 H ASN 23 -6.093 -0.046 -10.287 182 HA ASN 23 HA ASN 23 -5.499 -1.920 -11.557 183 1HB ASN 23 1HB ASN 23 -3.464 -1.539 -12.920 184 2HB ASN 23 2HB ASN 23 -4.507 -0.121 -12.855 185 2HD2 ASN 23 2HD2 ASN 23 -3.410 1.786 -12.398 186 1HD2 ASN 23 1HD2 ASN 23 -1.944 1.890 -11.544 187 H VAL 24 H VAL 24 -5.233 -2.945 -9.171 188 HA VAL 24 HA VAL 24 -2.765 -4.550 -9.393 189 HB VAL 24 HB VAL 24 -3.543 -3.259 -6.753 190 1HG1 VAL 24 1HG1 VAL 24 -1.681 -5.384 -7.633 191 2HG1 VAL 24 2HG1 VAL 24 -0.957 -4.177 -6.574 192 3HG1 VAL 24 3HG1 VAL 24 -2.370 -5.089 -6.038 193 1HG2 VAL 24 1HG2 VAL 24 -1.628 -2.470 -8.918 194 2HG2 VAL 24 2HG2 VAL 24 -2.556 -1.452 -7.818 195 3HG2 VAL 24 3HG2 VAL 24 -1.101 -2.269 -7.248 196 H THR 25 H THR 25 -3.814 -6.499 -9.691 197 HA THR 25 HA THR 25 -6.362 -7.148 -8.646 198 HB THR 25 HB THR 25 -4.975 -9.551 -8.846 199 HG1 THR 25 HG1 THR 25 -3.392 -9.244 -10.166 200 1HG2 THR 25 1HG2 THR 25 -6.721 -7.932 -10.668 201 2HG2 THR 25 2HG2 THR 25 -6.060 -9.471 -11.219 202 3HG2 THR 25 3HG2 THR 25 -7.105 -9.418 -9.798 203 H LEU 26 H LEU 26 -6.827 -8.772 -6.974 204 HA LEU 26 HA LEU 26 -4.913 -8.552 -4.690 205 1HB LEU 26 1HB LEU 26 -7.907 -8.978 -4.615 206 2HB LEU 26 2HB LEU 26 -6.877 -8.788 -3.218 207 HG LEU 26 HG LEU 26 -8.223 -6.815 -4.644 208 1HD1 LEU 26 1HD1 LEU 26 -5.276 -6.696 -5.104 209 2HD1 LEU 26 2HD1 LEU 26 -6.588 -6.380 -6.235 210 3HD1 LEU 26 3HD1 LEU 26 -6.220 -5.218 -4.962 211 1HD2 LEU 26 1HD2 LEU 26 -6.912 -7.157 -2.174 212 2HD2 LEU 26 2HD2 LEU 26 -6.332 -5.641 -2.873 213 3HD2 LEU 26 3HD2 LEU 26 -8.060 -5.901 -2.627 214 HA PRO 27 HA PRO 27 -4.820 -12.983 -5.506 215 1HB PRO 27 1HB PRO 27 -2.547 -13.431 -4.011 216 2HB PRO 27 2HB PRO 27 -2.515 -12.822 -5.674 217 1HG PRO 27 1HG PRO 27 -2.055 -11.339 -3.130 218 2HG PRO 27 2HG PRO 27 -1.405 -11.029 -4.748 219 1HD PRO 27 1HD PRO 27 -3.539 -9.651 -3.541 220 2HD PRO 27 2HD PRO 27 -3.134 -9.606 -5.262 221 H ALA 28 H ALA 28 -3.253 -12.881 -2.379 222 HA ALA 28 HA ALA 28 -4.848 -14.788 -1.134 223 1HB ALA 28 1HB ALA 28 -3.061 -14.303 0.218 224 2HB ALA 28 2HB ALA 28 -4.242 -13.264 1.016 225 3HB ALA 28 3HB ALA 28 -3.113 -12.581 -0.157 226 H GLY 29 H GLY 29 -6.335 -14.306 0.838 227 1HA GLY 29 1HA GLY 29 -8.725 -13.726 1.001 228 2HA GLY 29 2HA GLY 29 -8.406 -12.376 -0.097 229 H GLU 30 H GLU 30 -8.285 -13.447 3.231 230 HA GLU 30 HA GLU 30 -8.518 -10.879 4.337 231 1HB GLU 30 1HB GLU 30 -8.845 -12.342 6.049 232 2HB GLU 30 2HB GLU 30 -7.802 -13.562 5.332 233 1HG GLU 30 1HG GLU 30 -5.870 -12.674 6.338 234 2HG GLU 30 2HG GLU 30 -6.612 -11.093 6.585 235 H GLN 31 H GLN 31 -5.448 -12.755 4.406 236 HA GLN 31 HA GLN 31 -3.891 -10.844 3.112 237 1HB GLN 31 1HB GLN 31 -4.283 -9.208 4.810 238 2HB GLN 31 2HB GLN 31 -4.113 -10.400 6.091 239 1HG GLN 31 1HG GLN 31 -1.721 -9.944 4.343 240 2HG GLN 31 2HG GLN 31 -2.182 -8.688 5.474 241 2HE2 GLN 31 2HE2 GLN 31 -1.900 -9.072 7.736 242 1HE2 GLN 31 1HE2 GLN 31 -1.204 -10.493 8.350 243 H ARG 32 H ARG 32 -2.123 -11.956 2.532 244 HA ARG 32 HA ARG 32 -1.474 -14.520 3.492 245 1HB ARG 32 1HB ARG 32 -0.392 -14.339 1.499 246 2HB ARG 32 2HB ARG 32 -0.695 -12.623 1.480 247 1HG ARG 32 1HG ARG 32 1.337 -12.110 2.502 248 2HG ARG 32 2HG ARG 32 1.572 -13.751 3.098 249 1HD ARG 32 1HD ARG 32 1.428 -13.202 0.136 250 2HD ARG 32 2HD ARG 32 2.945 -12.992 1.011 251 HE ARG 32 HE ARG 32 2.749 -15.415 1.656 252 1HH1 ARG 32 1HH1 ARG 32 0.983 -17.102 1.168 253 2HH1 ARG 32 2HH1 ARG 32 0.714 -17.332 -0.527 254 1HH2 ARG 32 1HH2 ARG 32 2.364 -14.426 -1.452 255 2HH2 ARG 32 2HH2 ARG 32 1.496 -15.816 -2.011 256 H LYS 33 H LYS 33 0.272 -11.454 3.843 257 HA LYS 33 HA LYS 33 0.768 -11.564 6.621 258 1HB LYS 33 1HB LYS 33 2.528 -13.258 4.995 259 2HB LYS 33 2HB LYS 33 3.421 -12.048 5.915 260 1HG LYS 33 1HG LYS 33 1.256 -13.646 7.259 261 2HG LYS 33 2HG LYS 33 2.855 -14.356 7.033 262 1HD LYS 33 1HD LYS 33 3.905 -12.644 8.319 263 2HD LYS 33 2HD LYS 33 2.466 -11.626 8.274 264 1HE LYS 33 1HE LYS 33 1.277 -13.543 9.511 265 2HE LYS 33 2HE LYS 33 2.890 -14.194 9.810 266 1HZ LYS 33 1HZ LYS 33 3.257 -11.673 10.531 267 2HZ LYS 33 2HZ LYS 33 1.608 -11.825 10.908 268 3HZ LYS 33 3HZ LYS 33 2.744 -12.874 11.612 269 H ASP 34 H ASP 34 0.212 -9.310 5.979 270 HA ASP 34 HA ASP 34 0.840 -7.108 5.355 271 1HB ASP 34 1HB ASP 34 3.158 -8.348 6.513 272 2HB ASP 34 2HB ASP 34 3.693 -7.455 5.086 273 H VAL 35 H VAL 35 0.218 -9.138 3.383 274 HA VAL 35 HA VAL 35 2.126 -9.006 1.214 275 HB VAL 35 HB VAL 35 0.409 -10.844 1.532 276 1HG1 VAL 35 1HG1 VAL 35 -1.482 -9.324 2.028 277 2HG1 VAL 35 2HG1 VAL 35 -1.386 -8.703 0.384 278 3HG1 VAL 35 3HG1 VAL 35 -1.834 -10.381 0.658 279 1HG2 VAL 35 1HG2 VAL 35 0.987 -9.301 -0.965 280 2HG2 VAL 35 2HG2 VAL 35 1.357 -10.994 -0.562 281 3HG2 VAL 35 3HG2 VAL 35 -0.275 -10.542 -1.047 282 H TYR 36 H TYR 36 -0.874 -7.325 2.015 283 HA TYR 36 HA TYR 36 -0.930 -5.864 -0.475 284 1HB TYR 36 1HB TYR 36 -2.399 -5.550 2.133 285 2HB TYR 36 2HB TYR 36 -2.812 -4.758 0.622 286 HD1 TYR 36 HD1 TYR 36 -3.331 -6.224 -1.409 287 HD2 TYR 36 HD2 TYR 36 -3.000 -7.747 2.586 288 HE1 TYR 36 HE1 TYR 36 -4.552 -8.277 -2.092 289 HE2 TYR 36 HE2 TYR 36 -4.222 -9.770 1.917 290 HH TYR 36 HH TYR 36 -5.996 -10.045 -0.867 291 H VAL 37 H VAL 37 0.341 -5.432 2.732 292 HA VAL 37 HA VAL 37 0.737 -2.578 2.437 293 HB VAL 37 HB VAL 37 1.936 -4.625 4.350 294 1HG1 VAL 37 1HG1 VAL 37 -0.631 -3.910 4.270 295 2HG1 VAL 37 2HG1 VAL 37 0.217 -4.065 5.813 296 3HG1 VAL 37 3HG1 VAL 37 -0.020 -2.473 5.095 297 1HG2 VAL 37 1HG2 VAL 37 2.818 -1.989 3.769 298 2HG2 VAL 37 2HG2 VAL 37 1.949 -1.892 5.300 299 3HG2 VAL 37 3HG2 VAL 37 3.308 -3.003 5.126 300 H GLN 38 H GLN 38 2.902 -5.449 2.318 301 HA GLN 38 HA GLN 38 5.165 -3.972 1.326 302 1HB GLN 38 1HB GLN 38 4.929 -6.440 2.346 303 2HB GLN 38 2HB GLN 38 4.731 -6.877 0.656 304 1HG GLN 38 1HG GLN 38 6.911 -5.528 0.252 305 2HG GLN 38 2HG GLN 38 7.124 -5.649 2.001 306 2HE2 GLN 38 2HE2 GLN 38 5.648 -8.362 1.880 307 1HE2 GLN 38 1HE2 GLN 38 6.839 -9.438 1.325 308 H LEU 39 H LEU 39 2.669 -5.969 -0.192 309 HA LEU 39 HA LEU 39 3.357 -5.895 -2.908 310 1HB LEU 39 1HB LEU 39 0.721 -5.798 -1.492 311 2HB LEU 39 2HB LEU 39 0.699 -5.375 -3.183 312 HG LEU 39 HG LEU 39 2.045 -7.900 -2.309 313 1HD1 LEU 39 1HD1 LEU 39 -0.872 -7.471 -3.062 314 2HD1 LEU 39 2HD1 LEU 39 -0.096 -9.039 -2.850 315 3HD1 LEU 39 3HD1 LEU 39 -0.294 -7.959 -1.470 316 1HD2 LEU 39 1HD2 LEU 39 0.996 -6.596 -4.809 317 2HD2 LEU 39 2HD2 LEU 39 2.557 -7.381 -4.538 318 3HD2 LEU 39 3HD2 LEU 39 1.103 -8.362 -4.728 319 H TYR 40 H TYR 40 1.430 -3.480 -1.190 320 HA TYR 40 HA TYR 40 1.175 -1.505 -3.089 321 1HB TYR 40 1HB TYR 40 0.127 -0.668 -1.282 322 2HB TYR 40 2HB TYR 40 0.941 -1.825 -0.256 323 HD1 TYR 40 HD1 TYR 40 2.011 -0.916 1.558 324 HD2 TYR 40 HD2 TYR 40 2.017 1.286 -2.122 325 HE1 TYR 40 HE1 TYR 40 3.401 0.840 2.608 326 HE2 TYR 40 HE2 TYR 40 3.382 3.059 -1.056 327 HH TYR 40 HH TYR 40 4.259 2.876 2.381 328 H LEU 41 H LEU 41 3.866 -1.732 -0.732 329 HA LEU 41 HA LEU 41 5.186 0.556 -1.847 330 1HB LEU 41 1HB LEU 41 5.619 -0.799 0.480 331 2HB LEU 41 2HB LEU 41 6.899 -1.485 -0.502 332 HG LEU 41 HG LEU 41 7.372 1.055 -1.090 333 1HD1 LEU 41 1HD1 LEU 41 8.130 -0.641 1.207 334 2HD1 LEU 41 2HD1 LEU 41 9.151 0.201 0.041 335 3HD1 LEU 41 3HD1 LEU 41 8.468 1.078 1.410 336 1HD2 LEU 41 1HD2 LEU 41 5.537 1.156 1.322 337 2HD2 LEU 41 2HD2 LEU 41 6.836 2.340 1.162 338 3HD2 LEU 41 3HD2 LEU 41 5.593 2.229 -0.081 339 H GLN 42 H GLN 42 5.027 -2.731 -2.857 340 HA GLN 42 HA GLN 42 7.468 -2.709 -4.432 341 1HB GLN 42 1HB GLN 42 5.747 -4.655 -3.563 342 2HB GLN 42 2HB GLN 42 5.386 -4.579 -5.285 343 1HG GLN 42 1HG GLN 42 7.218 -6.181 -4.806 344 2HG GLN 42 2HG GLN 42 7.772 -4.841 -5.810 345 2HE2 GLN 42 2HE2 GLN 42 10.007 -5.164 -4.972 346 1HE2 GLN 42 1HE2 GLN 42 10.421 -4.645 -3.407 347 H HIS 43 H HIS 43 4.040 -2.873 -5.508 348 HA HIS 43 HA HIS 43 4.765 -1.974 -8.196 349 1HB HIS 43 1HB HIS 43 1.950 -1.958 -7.171 350 2HB HIS 43 2HB HIS 43 2.552 -2.449 -8.764 351 HD1 HIS 43 HD1 HIS 43 3.537 -4.867 -8.961 352 HD2 HIS 43 HD2 HIS 43 2.040 -3.905 -5.201 353 HE1 HIS 43 HE1 HIS 43 3.398 -7.048 -7.681 354 H LEU 44 H LEU 44 3.105 -0.621 -5.394 355 HA LEU 44 HA LEU 44 2.680 1.914 -6.822 356 1HB LEU 44 1HB LEU 44 2.037 1.126 -3.975 357 2HB LEU 44 2HB LEU 44 1.542 2.614 -4.759 358 HG LEU 44 HG LEU 44 0.266 -0.054 -4.863 359 1HD1 LEU 44 1HD1 LEU 44 -0.416 2.635 -4.707 360 2HD1 LEU 44 2HD1 LEU 44 -0.949 2.189 -6.318 361 3HD1 LEU 44 3HD1 LEU 44 -1.543 1.299 -4.927 362 1HD2 LEU 44 1HD2 LEU 44 1.233 1.172 -7.432 363 2HD2 LEU 44 2HD2 LEU 44 0.867 -0.509 -7.059 364 3HD2 LEU 44 3HD2 LEU 44 -0.434 0.634 -7.358 365 H THR 45 H THR 45 5.144 0.532 -4.840 366 HA THR 45 HA THR 45 6.999 1.538 -3.774 367 HB THR 45 HB THR 45 7.478 3.641 -5.554 368 HG1 THR 45 HG1 THR 45 6.684 3.015 -7.430 369 1HG2 THR 45 1HG2 THR 45 8.243 0.711 -5.522 370 2HG2 THR 45 2HG2 THR 45 8.985 1.881 -6.617 371 3HG2 THR 45 3HG2 THR 45 9.172 2.064 -4.870 372 H ALA 46 H ALA 46 4.272 2.929 -3.131 373 HA ALA 46 HA ALA 46 3.612 4.933 -2.093 374 1HB ALA 46 1HB ALA 46 4.974 4.376 -0.249 375 2HB ALA 46 2HB ALA 46 5.594 5.960 -0.711 376 3HB ALA 46 3HB ALA 46 6.462 4.499 -1.187 377 H ARG 47 H ARG 47 3.792 5.403 -4.553 378 HA ARG 47 HA ARG 47 5.136 6.708 -6.264 379 1HB ARG 47 1HB ARG 47 3.307 8.777 -5.495 380 2HB ARG 47 2HB ARG 47 3.147 7.653 -6.818 381 1HG ARG 47 1HG ARG 47 2.551 6.737 -3.991 382 2HG ARG 47 2HG ARG 47 1.349 7.684 -4.847 383 1HD ARG 47 1HD ARG 47 2.623 5.170 -5.997 384 2HD ARG 47 2HD ARG 47 1.132 5.146 -5.062 385 HE ARG 47 HE ARG 47 0.605 7.021 -7.018 386 1HH1 ARG 47 1HH1 ARG 47 -0.221 3.970 -6.746 387 2HH1 ARG 47 2HH1 ARG 47 0.022 3.477 -8.389 388 1HH2 ARG 47 1HH2 ARG 47 1.805 6.323 -9.256 389 2HH2 ARG 47 2HH2 ARG 47 1.169 4.811 -9.810 390 H ASN 48 H ASN 48 4.069 9.254 -3.987 391 HA ASN 48 HA ASN 48 6.688 10.543 -4.416 392 1HB ASN 48 1HB ASN 48 4.963 11.973 -2.547 393 2HB ASN 48 2HB ASN 48 5.568 12.473 -4.128 394 2HD2 ASN 48 2HD2 ASN 48 4.450 10.662 -5.856 395 1HD2 ASN 48 1HD2 ASN 48 2.776 10.800 -5.797 396 H ARG 49 H ARG 49 7.858 8.879 -3.202 397 HA ARG 49 HA ARG 49 7.694 8.026 -0.612 398 1HB ARG 49 1HB ARG 49 10.090 9.065 -2.089 399 2HB ARG 49 2HB ARG 49 10.231 8.720 -0.380 400 1HG ARG 49 1HG ARG 49 9.009 6.683 -2.252 401 2HG ARG 49 2HG ARG 49 10.751 6.834 -2.100 402 1HD ARG 49 1HD ARG 49 10.208 5.150 -0.566 403 2HD ARG 49 2HD ARG 49 10.419 6.585 0.425 404 HE ARG 49 HE ARG 49 7.653 6.206 -0.403 405 1HH1 ARG 49 1HH1 ARG 49 10.080 4.843 1.607 406 2HH1 ARG 49 2HH1 ARG 49 9.013 4.561 2.942 407 1HH2 ARG 49 1HH2 ARG 49 6.276 6.040 1.411 408 2HH2 ARG 49 2HH2 ARG 49 6.860 5.239 2.832 409 HA PRO 50 HA PRO 50 7.796 11.440 2.084 410 1HB PRO 50 1HB PRO 50 9.054 10.313 4.259 411 2HB PRO 50 2HB PRO 50 7.364 9.998 3.833 412 1HG PRO 50 1HG PRO 50 9.771 8.260 3.443 413 2HG PRO 50 2HG PRO 50 8.080 7.792 3.676 414 1HD PRO 50 1HD PRO 50 9.444 7.830 1.202 415 2HD PRO 50 2HD PRO 50 7.682 7.759 1.414 416 HA PRO 51 HA PRO 51 11.781 13.291 1.577 417 1HB PRO 51 1HB PRO 51 11.413 15.453 3.243 418 2HB PRO 51 2HB PRO 51 10.716 15.335 1.619 419 1HG PRO 51 1HG PRO 51 9.386 14.993 4.279 420 2HG PRO 51 2HG PRO 51 8.703 15.566 2.751 421 1HD PRO 51 1HD PRO 51 8.371 12.980 3.819 422 2HD PRO 51 2HD PRO 51 8.063 13.450 2.132 423 H LEU 52 H LEU 52 13.138 11.723 2.649 424 HA LEU 52 HA LEU 52 13.479 12.095 5.590 425 1HB LEU 52 1HB LEU 52 13.877 9.815 3.708 426 2HB LEU 52 2HB LEU 52 14.971 9.926 5.087 427 HG LEU 52 HG LEU 52 12.929 8.570 5.581 428 1HD1 LEU 52 1HD1 LEU 52 11.533 11.234 5.153 429 2HD1 LEU 52 2HD1 LEU 52 11.356 9.802 4.139 430 3HD1 LEU 52 3HD1 LEU 52 10.772 9.782 5.803 431 1HD2 LEU 52 1HD2 LEU 52 14.184 9.937 7.324 432 2HD2 LEU 52 2HD2 LEU 52 12.944 11.176 7.129 433 3HD2 LEU 52 3HD2 LEU 52 12.505 9.576 7.728 434 HA PRO 53 HA PRO 53 17.180 14.224 4.085 435 1HB PRO 53 1HB PRO 53 17.448 15.766 6.335 436 2HB PRO 53 2HB PRO 53 16.341 16.147 5.012 437 1HG PRO 53 1HG PRO 53 15.700 15.054 7.695 438 2HG PRO 53 2HG PRO 53 14.733 16.098 6.640 439 1HD PRO 53 1HD PRO 53 14.434 13.330 6.935 440 2HD PRO 53 2HD PRO 53 13.726 14.294 5.641 441 H ALA 54 H ALA 54 16.808 11.716 6.102 442 HA ALA 54 HA ALA 54 18.426 10.305 7.074 443 1HB ALA 54 1HB ALA 54 19.867 12.042 5.346 444 2HB ALA 54 2HB ALA 54 20.385 10.474 5.976 445 3HB ALA 54 3HB ALA 54 20.770 11.951 6.862 446 H GLY 55 H GLY 55 17.006 12.532 8.481 447 1HA GLY 55 1HA GLY 55 18.484 14.003 10.301 448 2HA GLY 55 2HA GLY 55 18.508 12.371 10.979 449 H THR 56 H THR 56 17.257 13.965 12.650 450 HA THR 56 HA THR 56 14.623 13.037 12.901 451 HB THR 56 HB THR 56 14.276 14.996 14.429 452 HG1 THR 56 HG1 THR 56 16.857 15.675 13.467 453 1HG2 THR 56 1HG2 THR 56 16.950 13.583 14.679 454 2HG2 THR 56 2HG2 THR 56 16.094 14.386 15.996 455 3HG2 THR 56 3HG2 THR 56 15.399 12.954 15.235 No H/Q in entry = 455 Start of MODEL 5 1 H2 PRO 1 H2 PRO 1 -1.323 9.142 -9.132 2 H3 PRO 1 H3 PRO 1 -2.387 10.058 -10.091 3 HA PRO 1 HA PRO 1 -3.809 10.166 -8.401 4 1HB PRO 1 1HB PRO 1 -4.205 7.407 -7.727 5 2HB PRO 1 2HB PRO 1 -5.258 8.452 -8.681 6 1HG PRO 1 1HG PRO 1 -3.701 6.288 -9.600 7 2HG PRO 1 2HG PRO 1 -4.659 7.414 -10.570 8 1HD PRO 1 1HD PRO 1 -1.720 7.307 -10.275 9 2HD PRO 1 2HD PRO 1 -2.659 8.302 -11.399 10 H GLU 2 H GLU 2 -3.134 10.858 -6.430 11 HA GLU 2 HA GLU 2 -0.857 9.881 -5.050 12 1HB GLU 2 1HB GLU 2 -2.787 11.912 -4.658 13 2HB GLU 2 2HB GLU 2 -2.799 10.934 -3.190 14 1HG GLU 2 1HG GLU 2 -0.369 11.173 -2.981 15 2HG GLU 2 2HG GLU 2 -0.310 12.085 -4.489 16 H PHE 3 H PHE 3 -0.563 8.165 -3.706 17 HA PHE 3 HA PHE 3 -2.965 6.766 -2.636 18 1HB PHE 3 1HB PHE 3 -2.510 5.259 -4.353 19 2HB PHE 3 2HB PHE 3 -0.822 5.758 -4.453 20 HD1 PHE 3 HD1 PHE 3 -3.032 3.199 -3.249 21 HD2 PHE 3 HD2 PHE 3 0.728 5.141 -2.639 22 HE1 PHE 3 HE1 PHE 3 -2.215 1.219 -2.068 23 HE2 PHE 3 HE2 PHE 3 1.562 3.163 -1.511 24 HZ PHE 3 HZ PHE 3 0.099 1.145 -1.238 25 H LEU 4 H LEU 4 -2.228 5.207 -0.872 26 HA LEU 4 HA LEU 4 -0.855 6.665 1.142 27 1HB LEU 4 1HB LEU 4 -0.754 4.455 2.361 28 2HB LEU 4 2HB LEU 4 -2.354 4.850 1.732 29 HG LEU 4 HG LEU 4 -1.152 3.584 -0.388 30 1HD1 LEU 4 1HD1 LEU 4 -3.444 3.360 0.551 31 2HD1 LEU 4 2HD1 LEU 4 -2.711 1.811 0.125 32 3HD1 LEU 4 3HD1 LEU 4 -2.760 2.332 1.811 33 1HD2 LEU 4 1HD2 LEU 4 0.159 2.784 2.084 34 2HD2 LEU 4 2HD2 LEU 4 -0.663 1.417 1.333 35 3HD2 LEU 4 3HD2 LEU 4 0.556 2.316 0.431 36 H GLU 5 H GLU 5 1.240 7.353 0.479 37 HA GLU 5 HA GLU 5 3.155 5.421 -0.564 38 1HB GLU 5 1HB GLU 5 3.659 8.136 0.701 39 2HB GLU 5 2HB GLU 5 4.804 7.216 -0.274 40 1HG GLU 5 1HG GLU 5 3.929 8.636 -1.895 41 2HG GLU 5 2HG GLU 5 2.810 7.275 -2.064 42 H ASP 6 H ASP 6 1.723 5.860 2.396 43 HA ASP 6 HA ASP 6 3.552 4.033 3.736 44 1HB ASP 6 1HB ASP 6 3.628 6.927 4.263 45 2HB ASP 6 2HB ASP 6 3.292 5.973 5.708 46 HA PRO 7 HA PRO 7 -0.870 3.551 4.729 47 1HB PRO 7 1HB PRO 7 -0.769 0.807 4.711 48 2HB PRO 7 2HB PRO 7 -1.041 1.785 3.258 49 1HG PRO 7 1HG PRO 7 1.422 0.338 4.142 50 2HG PRO 7 2HG PRO 7 0.884 0.752 2.512 51 1HD PRO 7 1HD PRO 7 2.885 2.110 3.983 52 2HD PRO 7 2HD PRO 7 2.085 2.724 2.521 53 H SER 8 H SER 8 0.576 4.312 6.888 54 HA SER 8 HA SER 8 0.618 2.007 8.772 55 1HB SER 8 1HB SER 8 1.949 4.691 8.706 56 2HB SER 8 2HB SER 8 1.656 3.933 10.271 57 HG SER 8 HG SER 8 2.602 1.996 9.039 58 H VAL 9 H VAL 9 -1.566 4.267 7.765 59 HA VAL 9 HA VAL 9 -2.721 4.600 10.473 60 HB VAL 9 HB VAL 9 -2.415 6.358 8.146 61 1HG1 VAL 9 1HG1 VAL 9 -4.812 5.893 7.966 62 2HG1 VAL 9 2HG1 VAL 9 -5.029 6.356 9.654 63 3HG1 VAL 9 3HG1 VAL 9 -4.512 7.558 8.468 64 1HG2 VAL 9 1HG2 VAL 9 -1.416 6.698 10.356 65 2HG2 VAL 9 2HG2 VAL 9 -2.458 8.044 9.892 66 3HG2 VAL 9 3HG2 VAL 9 -3.028 6.847 11.056 67 H LEU 10 H LEU 10 -3.110 2.907 7.559 68 HA LEU 10 HA LEU 10 -6.057 2.685 7.944 69 1HB LEU 10 1HB LEU 10 -5.419 1.174 5.656 70 2HB LEU 10 2HB LEU 10 -6.086 2.807 5.670 71 HG LEU 10 HG LEU 10 -3.099 2.235 5.821 72 1HD1 LEU 10 1HD1 LEU 10 -4.331 1.597 3.616 73 2HD1 LEU 10 2HD1 LEU 10 -4.479 3.339 3.388 74 3HD1 LEU 10 3HD1 LEU 10 -2.892 2.600 3.521 75 1HD2 LEU 10 1HD2 LEU 10 -4.557 4.518 6.440 76 2HD2 LEU 10 2HD2 LEU 10 -2.838 4.472 6.046 77 3HD2 LEU 10 3HD2 LEU 10 -4.023 4.811 4.784 78 H THR 11 H THR 11 -3.823 0.204 6.727 79 HA THR 11 HA THR 11 -3.575 -1.562 8.803 80 HB THR 11 HB THR 11 -5.875 -1.493 9.346 81 HG1 THR 11 HG1 THR 11 -6.718 -3.516 8.383 82 1HG2 THR 11 1HG2 THR 11 -6.144 -1.144 6.423 83 2HG2 THR 11 2HG2 THR 11 -7.487 -1.968 7.224 84 3HG2 THR 11 3HG2 THR 11 -7.026 -0.328 7.721 85 H LYS 12 H LYS 12 -4.059 -4.002 7.789 86 HA LYS 12 HA LYS 12 -2.693 -3.907 5.179 87 1HB LYS 12 1HB LYS 12 -2.854 -5.776 7.370 88 2HB LYS 12 2HB LYS 12 -3.374 -6.585 5.896 89 1HG LYS 12 1HG LYS 12 -1.142 -6.911 5.557 90 2HG LYS 12 2HG LYS 12 -1.134 -5.229 5.024 91 1HD LYS 12 1HD LYS 12 0.584 -5.446 6.707 92 2HD LYS 12 2HD LYS 12 -0.760 -4.568 7.441 93 1HE LYS 12 1HE LYS 12 -1.600 -6.781 8.335 94 2HE LYS 12 2HE LYS 12 -0.093 -7.508 7.779 95 1HZ LYS 12 1HZ LYS 12 0.676 -5.269 9.151 96 2HZ LYS 12 2HZ LYS 12 -0.584 -5.915 10.090 97 3HZ LYS 12 3HZ LYS 12 0.767 -6.869 9.705 98 H ASP 13 H ASP 13 -5.733 -3.364 5.859 99 HA ASP 13 HA ASP 13 -6.797 -5.152 3.694 100 1HB ASP 13 1HB ASP 13 -7.643 -4.949 6.380 101 2HB ASP 13 2HB ASP 13 -8.844 -4.055 5.449 102 H LYS 14 H LYS 14 -6.761 -1.806 4.990 103 HA LYS 14 HA LYS 14 -8.704 -0.940 3.011 104 1HB LYS 14 1HB LYS 14 -8.267 0.183 5.223 105 2HB LYS 14 2HB LYS 14 -6.762 0.775 4.547 106 1HG LYS 14 1HG LYS 14 -9.534 1.276 3.409 107 2HG LYS 14 2HG LYS 14 -8.583 2.430 4.347 108 1HD LYS 14 1HD LYS 14 -7.944 1.311 1.604 109 2HD LYS 14 2HD LYS 14 -8.249 2.991 2.002 110 1HE LYS 14 1HE LYS 14 -6.200 3.152 3.253 111 2HE LYS 14 2HE LYS 14 -5.963 1.400 3.209 112 1HZ LYS 14 1HZ LYS 14 -5.878 1.692 0.737 113 2HZ LYS 14 2HZ LYS 14 -5.694 3.357 1.044 114 3HZ LYS 14 3HZ LYS 14 -4.579 2.252 1.647 115 H LEU 15 H LEU 15 -5.170 -0.679 3.437 116 HA LEU 15 HA LEU 15 -4.443 0.580 1.050 117 1HB LEU 15 1HB LEU 15 -2.673 -1.612 1.175 118 2HB LEU 15 2HB LEU 15 -2.385 0.010 1.808 119 HG LEU 15 HG LEU 15 -3.385 -0.645 3.955 120 1HD1 LEU 15 1HD1 LEU 15 -4.480 -2.706 2.405 121 2HD1 LEU 15 2HD1 LEU 15 -3.360 -3.482 3.526 122 3HD1 LEU 15 3HD1 LEU 15 -4.674 -2.458 4.144 123 1HD2 LEU 15 1HD2 LEU 15 -0.927 -1.071 3.345 124 2HD2 LEU 15 2HD2 LEU 15 -1.569 -2.012 4.692 125 3HD2 LEU 15 3HD2 LEU 15 -1.398 -2.754 3.100 126 H LYS 16 H LYS 16 -6.000 -2.471 1.486 127 HA LYS 16 HA LYS 16 -5.379 -3.546 -1.107 128 1HB LYS 16 1HB LYS 16 -6.775 -4.267 1.358 129 2HB LYS 16 2HB LYS 16 -7.729 -4.666 -0.029 130 1HG LYS 16 1HG LYS 16 -5.474 -5.708 -0.884 131 2HG LYS 16 2HG LYS 16 -5.080 -5.694 0.829 132 1HD LYS 16 1HD LYS 16 -7.774 -6.689 0.068 133 2HD LYS 16 2HD LYS 16 -6.413 -7.738 -0.323 134 1HE LYS 16 1HE LYS 16 -6.482 -8.444 1.809 135 2HE LYS 16 2HE LYS 16 -5.896 -6.847 2.272 136 1HZ LYS 16 1HZ LYS 16 -8.764 -7.349 1.789 137 2HZ LYS 16 2HZ LYS 16 -8.061 -7.679 3.299 138 3HZ LYS 16 3HZ LYS 16 -8.043 -6.098 2.677 139 H SER 17 H SER 17 -8.352 -2.354 0.464 140 HA SER 17 HA SER 17 -10.111 -2.331 -1.669 141 1HB SER 17 1HB SER 17 -9.851 -0.822 0.804 142 2HB SER 17 2HB SER 17 -10.657 0.096 -0.459 143 HG SER 17 HG SER 17 -11.329 -2.505 0.444 144 H GLU 18 H GLU 18 -7.340 -0.302 -1.204 145 HA GLU 18 HA GLU 18 -8.179 1.489 -3.397 146 1HB GLU 18 1HB GLU 18 -5.555 1.574 -1.903 147 2HB GLU 18 2HB GLU 18 -6.373 2.872 -2.757 148 1HG GLU 18 1HG GLU 18 -7.428 1.509 -0.254 149 2HG GLU 18 2HG GLU 18 -6.717 3.114 -0.293 150 H LEU 19 H LEU 19 -5.338 -0.590 -2.642 151 HA LEU 19 HA LEU 19 -3.903 -0.572 -4.956 152 1HB LEU 19 1HB LEU 19 -4.723 -2.881 -3.216 153 2HB LEU 19 2HB LEU 19 -3.858 -3.204 -4.696 154 HG LEU 19 HG LEU 19 -2.722 -1.006 -3.119 155 1HD1 LEU 19 1HD1 LEU 19 -1.998 -2.543 -5.196 156 2HD1 LEU 19 2HD1 LEU 19 -0.813 -1.819 -4.106 157 3HD1 LEU 19 3HD1 LEU 19 -1.304 -3.507 -3.893 158 1HD2 LEU 19 1HD2 LEU 19 -3.415 -3.550 -1.870 159 2HD2 LEU 19 2HD2 LEU 19 -1.666 -3.325 -1.906 160 3HD2 LEU 19 3HD2 LEU 19 -2.696 -2.120 -1.128 161 H VAL 20 H VAL 20 -6.950 -2.382 -4.547 162 HA VAL 20 HA VAL 20 -7.110 -3.506 -7.131 163 HB VAL 20 HB VAL 20 -9.204 -2.576 -5.152 164 1HG1 VAL 20 1HG1 VAL 20 -8.186 -5.245 -6.161 165 2HG1 VAL 20 2HG1 VAL 20 -8.057 -4.589 -4.530 166 3HG1 VAL 20 3HG1 VAL 20 -9.628 -5.082 -5.159 167 1HG2 VAL 20 1HG2 VAL 20 -9.547 -3.413 -8.001 168 2HG2 VAL 20 2HG2 VAL 20 -10.671 -4.087 -6.821 169 3HG2 VAL 20 3HG2 VAL 20 -10.543 -2.339 -7.018 170 H ALA 21 H ALA 21 -8.468 -0.410 -5.990 171 HA ALA 21 HA ALA 21 -9.321 0.491 -8.574 172 1HB ALA 21 1HB ALA 21 -9.550 2.675 -7.492 173 2HB ALA 21 2HB ALA 21 -10.140 1.413 -6.409 174 3HB ALA 21 3HB ALA 21 -8.549 2.132 -6.143 175 H ASN 22 H ASN 22 -6.191 0.338 -7.129 176 HA ASN 22 HA ASN 22 -5.160 2.417 -8.979 177 1HB ASN 22 1HB ASN 22 -3.721 0.967 -6.734 178 2HB ASN 22 2HB ASN 22 -3.150 2.403 -7.587 179 2HD2 ASN 22 2HD2 ASN 22 -4.707 1.520 -4.716 180 1HD2 ASN 22 1HD2 ASN 22 -5.591 2.940 -4.452 181 H ASN 23 H ASN 23 -5.984 -0.039 -10.136 182 HA ASN 23 HA ASN 23 -5.210 -1.625 -11.672 183 1HB ASN 23 1HB ASN 23 -3.256 0.551 -11.658 184 2HB ASN 23 2HB ASN 23 -2.558 -0.991 -12.154 185 2HD2 ASN 23 2HD2 ASN 23 -4.141 1.696 -13.378 186 1HD2 ASN 23 1HD2 ASN 23 -4.810 1.001 -14.777 187 H VAL 24 H VAL 24 -5.138 -2.609 -9.102 188 HA VAL 24 HA VAL 24 -2.742 -4.351 -9.254 189 HB VAL 24 HB VAL 24 -3.638 -3.164 -6.617 190 1HG1 VAL 24 1HG1 VAL 24 -1.620 -5.093 -7.565 191 2HG1 VAL 24 2HG1 VAL 24 -0.969 -3.860 -6.487 192 3HG1 VAL 24 3HG1 VAL 24 -2.300 -4.886 -5.953 193 1HG2 VAL 24 1HG2 VAL 24 -2.766 -1.452 -8.332 194 2HG2 VAL 24 2HG2 VAL 24 -1.927 -1.519 -6.783 195 3HG2 VAL 24 3HG2 VAL 24 -1.218 -2.284 -8.205 196 H THR 25 H THR 25 -3.617 -6.382 -9.385 197 HA THR 25 HA THR 25 -6.309 -6.921 -8.478 198 HB THR 25 HB THR 25 -5.034 -9.362 -8.800 199 HG1 THR 25 HG1 THR 25 -3.304 -8.926 -9.881 200 1HG2 THR 25 1HG2 THR 25 -6.482 -7.633 -10.816 201 2HG2 THR 25 2HG2 THR 25 -6.196 -9.363 -11.001 202 3HG2 THR 25 3HG2 THR 25 -7.224 -8.775 -9.695 203 H LEU 26 H LEU 26 -6.808 -8.571 -6.851 204 HA LEU 26 HA LEU 26 -4.846 -8.506 -4.593 205 1HB LEU 26 1HB LEU 26 -7.850 -8.860 -4.497 206 2HB LEU 26 2HB LEU 26 -6.794 -8.757 -3.107 207 HG LEU 26 HG LEU 26 -8.111 -6.690 -4.389 208 1HD1 LEU 26 1HD1 LEU 26 -5.179 -6.609 -4.970 209 2HD1 LEU 26 2HD1 LEU 26 -6.526 -6.284 -6.060 210 3HD1 LEU 26 3HD1 LEU 26 -6.118 -5.129 -4.793 211 1HD2 LEU 26 1HD2 LEU 26 -6.801 -7.169 -2.002 212 2HD2 LEU 26 2HD2 LEU 26 -6.010 -5.739 -2.674 213 3HD2 LEU 26 3HD2 LEU 26 -7.753 -5.747 -2.408 214 HA PRO 27 HA PRO 27 -4.917 -12.885 -5.723 215 1HB PRO 27 1HB PRO 27 -2.458 -13.402 -4.587 216 2HB PRO 27 2HB PRO 27 -2.679 -12.780 -6.233 217 1HG PRO 27 1HG PRO 27 -1.766 -11.362 -3.772 218 2HG PRO 27 2HG PRO 27 -1.430 -10.988 -5.468 219 1HD PRO 27 1HD PRO 27 -3.310 -9.678 -3.805 220 2HD PRO 27 2HD PRO 27 -3.190 -9.515 -5.568 221 H ALA 28 H ALA 28 -3.344 -12.067 -2.590 222 HA ALA 28 HA ALA 28 -4.146 -14.344 -1.175 223 1HB ALA 28 1HB ALA 28 -2.853 -13.163 0.268 224 2HB ALA 28 2HB ALA 28 -4.351 -12.354 0.734 225 3HB ALA 28 3HB ALA 28 -3.296 -11.623 -0.473 226 H GLY 29 H GLY 29 -5.828 -14.064 0.805 227 1HA GLY 29 1HA GLY 29 -8.282 -14.513 0.718 228 2HA GLY 29 2HA GLY 29 -8.388 -13.227 -0.488 229 H GLU 30 H GLU 30 -6.325 -12.789 2.280 230 HA GLU 30 HA GLU 30 -8.130 -10.618 3.200 231 1HB GLU 30 1HB GLU 30 -7.854 -13.115 4.547 232 2HB GLU 30 2HB GLU 30 -7.012 -11.902 5.511 233 1HG GLU 30 1HG GLU 30 -9.396 -10.668 4.645 234 2HG GLU 30 2HG GLU 30 -9.858 -12.290 5.162 235 H GLN 31 H GLN 31 -5.090 -12.265 4.130 236 HA GLN 31 HA GLN 31 -3.296 -10.209 3.360 237 1HB GLN 31 1HB GLN 31 -4.563 -8.833 5.051 238 2HB GLN 31 2HB GLN 31 -4.157 -10.016 6.286 239 1HG GLN 31 1HG GLN 31 -1.700 -9.471 5.301 240 2HG GLN 31 2HG GLN 31 -2.507 -7.930 5.074 241 2HE2 GLN 31 2HE2 GLN 31 -0.868 -9.801 7.387 242 1HE2 GLN 31 1HE2 GLN 31 -1.420 -9.016 8.784 243 H ARG 32 H ARG 32 -2.311 -12.264 2.895 244 HA ARG 32 HA ARG 32 -1.642 -14.379 4.355 245 1HB ARG 32 1HB ARG 32 -0.887 -13.726 2.057 246 2HB ARG 32 2HB ARG 32 0.262 -12.609 2.788 247 1HG ARG 32 1HG ARG 32 0.293 -15.385 3.756 248 2HG ARG 32 2HG ARG 32 0.911 -15.090 2.137 249 1HD ARG 32 1HD ARG 32 1.790 -13.102 4.125 250 2HD ARG 32 2HD ARG 32 2.385 -14.740 4.458 251 HE ARG 32 HE ARG 32 2.839 -14.268 1.716 252 1HH1 ARG 32 1HH1 ARG 32 5.222 -14.543 1.668 253 2HH1 ARG 32 2HH1 ARG 32 6.129 -13.321 2.497 254 1HH2 ARG 32 1HH2 ARG 32 3.370 -12.007 4.134 255 2HH2 ARG 32 2HH2 ARG 32 5.081 -11.886 3.892 256 H LYS 33 H LYS 33 0.263 -11.374 4.407 257 HA LYS 33 HA LYS 33 0.475 -11.070 7.198 258 1HB LYS 33 1HB LYS 33 1.806 -13.296 6.800 259 2HB LYS 33 2HB LYS 33 3.057 -12.226 6.162 260 1HG LYS 33 1HG LYS 33 3.646 -12.307 8.411 261 2HG LYS 33 2HG LYS 33 2.609 -10.881 8.385 262 1HD LYS 33 1HD LYS 33 1.050 -11.875 9.689 263 2HD LYS 33 2HD LYS 33 1.090 -13.356 8.730 264 1HE LYS 33 1HE LYS 33 1.857 -13.583 11.157 265 2HE LYS 33 2HE LYS 33 2.974 -14.198 9.938 266 1HZ LYS 33 1HZ LYS 33 3.404 -11.433 10.433 267 2HZ LYS 33 2HZ LYS 33 3.519 -12.325 11.871 268 3HZ LYS 33 3HZ LYS 33 4.497 -12.728 10.542 269 H ASP 34 H ASP 34 0.091 -8.972 6.072 270 HA ASP 34 HA ASP 34 1.006 -6.840 5.540 271 1HB ASP 34 1HB ASP 34 3.191 -8.241 6.641 272 2HB ASP 34 2HB ASP 34 3.775 -7.616 5.096 273 H VAL 35 H VAL 35 0.796 -9.522 3.647 274 HA VAL 35 HA VAL 35 2.344 -9.043 1.375 275 HB VAL 35 HB VAL 35 0.098 -10.692 2.077 276 1HG1 VAL 35 1HG1 VAL 35 2.418 -11.135 1.039 277 2HG1 VAL 35 2HG1 VAL 35 1.040 -12.138 0.568 278 3HG1 VAL 35 3HG1 VAL 35 1.602 -10.853 -0.495 279 1HG2 VAL 35 1HG2 VAL 35 -0.181 -9.115 -0.542 280 2HG2 VAL 35 2HG2 VAL 35 -0.861 -10.741 -0.346 281 3HG2 VAL 35 3HG2 VAL 35 -1.413 -9.430 0.684 282 H TYR 36 H TYR 36 -0.629 -7.365 2.408 283 HA TYR 36 HA TYR 36 -0.901 -6.037 -0.165 284 1HB TYR 36 1HB TYR 36 -2.249 -5.680 2.510 285 2HB TYR 36 2HB TYR 36 -2.669 -4.776 1.070 286 HD1 TYR 36 HD1 TYR 36 -3.273 -7.657 2.943 287 HD2 TYR 36 HD2 TYR 36 -3.066 -6.248 -1.107 288 HE1 TYR 36 HE1 TYR 36 -4.550 -9.633 2.187 289 HE2 TYR 36 HE2 TYR 36 -4.374 -8.229 -1.878 290 HH TYR 36 HH TYR 36 -5.388 -10.745 0.452 291 H VAL 37 H VAL 37 0.566 -5.360 2.929 292 HA VAL 37 HA VAL 37 0.897 -2.523 2.394 293 HB VAL 37 HB VAL 37 2.152 -4.417 4.417 294 1HG1 VAL 37 1HG1 VAL 37 -0.403 -3.661 4.356 295 2HG1 VAL 37 2HG1 VAL 37 0.490 -3.705 5.881 296 3HG1 VAL 37 3HG1 VAL 37 0.258 -2.173 5.042 297 1HG2 VAL 37 1HG2 VAL 37 2.989 -1.792 3.608 298 2HG2 VAL 37 2HG2 VAL 37 2.284 -1.674 5.220 299 3HG2 VAL 37 3HG2 VAL 37 3.625 -2.780 4.923 300 H GLN 38 H GLN 38 2.744 -5.464 1.872 301 HA GLN 38 HA GLN 38 5.141 -4.069 0.946 302 1HB GLN 38 1HB GLN 38 5.487 -6.240 1.958 303 2HB GLN 38 2HB GLN 38 4.236 -6.970 0.955 304 1HG GLN 38 1HG GLN 38 5.972 -7.597 -0.368 305 2HG GLN 38 2HG GLN 38 5.909 -5.935 -0.944 306 2HE2 GLN 38 2HE2 GLN 38 7.218 -7.571 2.002 307 1HE2 GLN 38 1HE2 GLN 38 8.731 -6.797 1.936 308 H LEU 39 H LEU 39 2.594 -6.117 -0.401 309 HA LEU 39 HA LEU 39 3.066 -5.986 -3.145 310 1HB LEU 39 1HB LEU 39 0.621 -6.203 -1.497 311 2HB LEU 39 2HB LEU 39 0.307 -5.529 -3.081 312 HG LEU 39 HG LEU 39 1.966 -8.014 -2.743 313 1HD1 LEU 39 1HD1 LEU 39 -0.714 -7.808 -2.024 314 2HD1 LEU 39 2HD1 LEU 39 -0.782 -8.354 -3.699 315 3HD1 LEU 39 3HD1 LEU 39 0.108 -9.295 -2.503 316 1HD2 LEU 39 1HD2 LEU 39 0.629 -6.456 -4.941 317 2HD2 LEU 39 2HD2 LEU 39 2.255 -7.146 -4.896 318 3HD2 LEU 39 3HD2 LEU 39 0.863 -8.200 -5.139 319 H TYR 40 H TYR 40 1.419 -3.571 -1.143 320 HA TYR 40 HA TYR 40 0.963 -1.623 -3.096 321 1HB TYR 40 1HB TYR 40 0.040 -0.730 -1.256 322 2HB TYR 40 2HB TYR 40 0.834 -1.929 -0.270 323 HD1 TYR 40 HD1 TYR 40 1.863 -1.040 1.552 324 HD2 TYR 40 HD2 TYR 40 2.073 1.101 -2.155 325 HE1 TYR 40 HE1 TYR 40 3.294 0.678 2.622 326 HE2 TYR 40 HE2 TYR 40 3.494 2.827 -1.080 327 HH TYR 40 HH TYR 40 4.158 2.747 2.387 328 H LEU 41 H LEU 41 3.807 -1.816 -0.856 329 HA LEU 41 HA LEU 41 5.158 0.349 -2.105 330 1HB LEU 41 1HB LEU 41 6.537 -2.038 -0.850 331 2HB LEU 41 2HB LEU 41 7.144 -0.388 -0.971 332 HG LEU 41 HG LEU 41 4.533 -0.743 0.421 333 1HD1 LEU 41 1HD1 LEU 41 6.859 -2.278 1.138 334 2HD1 LEU 41 2HD1 LEU 41 6.548 -1.076 2.391 335 3HD1 LEU 41 3HD1 LEU 41 5.288 -2.224 1.937 336 1HD2 LEU 41 1HD2 LEU 41 5.690 1.467 0.131 337 2HD2 LEU 41 2HD2 LEU 41 5.408 1.043 1.824 338 3HD2 LEU 41 3HD2 LEU 41 7.020 0.850 1.118 339 H GLN 42 H GLN 42 4.620 -2.859 -3.277 340 HA GLN 42 HA GLN 42 6.963 -2.924 -5.008 341 1HB GLN 42 1HB GLN 42 5.313 -4.841 -4.059 342 2HB GLN 42 2HB GLN 42 4.673 -4.659 -5.689 343 1HG GLN 42 1HG GLN 42 7.502 -5.347 -4.869 344 2HG GLN 42 2HG GLN 42 6.395 -6.305 -5.853 345 2HE2 GLN 42 2HE2 GLN 42 5.707 -5.176 -7.995 346 1HE2 GLN 42 1HE2 GLN 42 6.890 -4.258 -8.793 347 H HIS 43 H HIS 43 3.477 -2.892 -5.915 348 HA HIS 43 HA HIS 43 4.162 -1.899 -8.588 349 1HB HIS 43 1HB HIS 43 1.370 -1.884 -7.497 350 2HB HIS 43 2HB HIS 43 1.927 -2.290 -9.129 351 HD1 HIS 43 HD1 HIS 43 2.690 -4.724 -9.549 352 HD2 HIS 43 HD2 HIS 43 1.621 -3.949 -5.602 353 HE1 HIS 43 HE1 HIS 43 2.557 -6.978 -8.396 354 H LEU 44 H LEU 44 2.984 -0.635 -5.576 355 HA LEU 44 HA LEU 44 2.380 1.965 -6.841 356 1HB LEU 44 1HB LEU 44 2.032 1.040 -3.982 357 2HB LEU 44 2HB LEU 44 1.511 2.586 -4.621 358 HG LEU 44 HG LEU 44 0.148 -0.036 -4.755 359 1HD1 LEU 44 1HD1 LEU 44 -0.434 2.545 -4.200 360 2HD1 LEU 44 2HD1 LEU 44 -1.072 2.427 -5.828 361 3HD1 LEU 44 3HD1 LEU 44 -1.646 1.324 -4.580 362 1HD2 LEU 44 1HD2 LEU 44 0.699 1.513 -7.308 363 2HD2 LEU 44 2HD2 LEU 44 0.701 -0.233 -7.069 364 3HD2 LEU 44 3HD2 LEU 44 -0.818 0.657 -7.076 365 H THR 45 H THR 45 4.960 0.402 -5.135 366 HA THR 45 HA THR 45 6.954 1.274 -4.225 367 HB THR 45 HB THR 45 7.390 3.464 -5.890 368 HG1 THR 45 HG1 THR 45 6.107 1.441 -7.379 369 1HG2 THR 45 1HG2 THR 45 7.940 0.500 -6.160 370 2HG2 THR 45 2HG2 THR 45 8.630 1.696 -7.260 371 3HG2 THR 45 3HG2 THR 45 9.031 1.743 -5.541 372 H ALA 46 H ALA 46 4.409 2.580 -3.151 373 HA ALA 46 HA ALA 46 3.832 4.513 -1.939 374 1HB ALA 46 1HB ALA 46 6.827 4.422 -1.404 375 2HB ALA 46 2HB ALA 46 5.652 5.350 -0.470 376 3HB ALA 46 3HB ALA 46 5.591 3.586 -0.463 377 H ARG 47 H ARG 47 3.839 5.103 -4.419 378 HA ARG 47 HA ARG 47 5.086 6.604 -6.069 379 1HB ARG 47 1HB ARG 47 3.104 8.450 -5.365 380 2HB ARG 47 2HB ARG 47 2.969 7.201 -6.563 381 1HG ARG 47 1HG ARG 47 2.591 6.342 -3.726 382 2HG ARG 47 2HG ARG 47 1.345 7.371 -4.388 383 1HD ARG 47 1HD ARG 47 1.296 4.693 -4.696 384 2HD ARG 47 2HD ARG 47 0.652 5.773 -5.929 385 HE ARG 47 HE ARG 47 3.488 5.210 -6.256 386 1HH1 ARG 47 1HH1 ARG 47 0.291 4.020 -6.724 387 2HH1 ARG 47 2HH1 ARG 47 0.664 3.212 -8.209 388 1HH2 ARG 47 1HH2 ARG 47 3.971 4.256 -8.254 389 2HH2 ARG 47 2HH2 ARG 47 2.746 3.345 -9.076 390 H ASN 48 H ASN 48 3.732 8.946 -3.728 391 HA ASN 48 HA ASN 48 6.287 10.447 -4.010 392 1HB ASN 48 1HB ASN 48 4.443 12.031 -2.570 393 2HB ASN 48 2HB ASN 48 4.901 12.201 -4.264 394 2HD2 ASN 48 2HD2 ASN 48 3.723 10.348 -5.688 395 1HD2 ASN 48 1HD2 ASN 48 2.069 10.251 -5.392 396 H ARG 49 H ARG 49 6.632 8.366 -2.235 397 HA ARG 49 HA ARG 49 7.195 7.855 -0.007 398 1HB ARG 49 1HB ARG 49 8.239 10.458 -0.810 399 2HB ARG 49 2HB ARG 49 8.090 10.285 0.937 400 1HG ARG 49 1HG ARG 49 9.464 8.306 0.931 401 2HG ARG 49 2HG ARG 49 9.340 8.158 -0.826 402 1HD ARG 49 1HD ARG 49 11.501 9.213 0.348 403 2HD ARG 49 2HD ARG 49 10.918 9.819 -1.201 404 HE ARG 49 HE ARG 49 9.691 11.204 1.036 405 1HH1 ARG 49 1HH1 ARG 49 12.380 10.981 -1.115 406 2HH1 ARG 49 2HH1 ARG 49 12.924 12.596 -0.807 407 1HH2 ARG 49 1HH2 ARG 49 10.440 13.284 1.509 408 2HH2 ARG 49 2HH2 ARG 49 11.828 13.898 0.676 409 HA PRO 50 HA PRO 50 4.398 9.406 2.973 410 1HB PRO 50 1HB PRO 50 5.868 9.265 5.293 411 2HB PRO 50 2HB PRO 50 5.222 7.846 4.458 412 1HG PRO 50 1HG PRO 50 8.026 8.813 4.613 413 2HG PRO 50 2HG PRO 50 7.425 7.190 4.247 414 1HD PRO 50 1HD PRO 50 8.378 9.149 2.391 415 2HD PRO 50 2HD PRO 50 7.664 7.573 1.999 416 HA PRO 51 HA PRO 51 5.113 13.698 3.747 417 1HB PRO 51 1HB PRO 51 3.309 14.112 5.781 418 2HB PRO 51 2HB PRO 51 2.844 13.917 4.083 419 1HG PRO 51 1HG PRO 51 2.610 11.972 6.344 420 2HG PRO 51 2HG PRO 51 1.619 12.116 4.884 421 1HD PRO 51 1HD PRO 51 3.664 10.210 5.311 422 2HD PRO 51 2HD PRO 51 2.924 10.609 3.745 423 H LEU 52 H LEU 52 7.318 13.332 4.650 424 HA LEU 52 HA LEU 52 7.371 13.469 7.637 425 1HB LEU 52 1HB LEU 52 9.121 12.124 5.637 426 2HB LEU 52 2HB LEU 52 9.917 12.835 7.042 427 HG LEU 52 HG LEU 52 8.477 11.563 8.549 428 1HD1 LEU 52 1HD1 LEU 52 10.524 10.460 7.700 429 2HD1 LEU 52 2HD1 LEU 52 9.241 9.282 7.979 430 3HD1 LEU 52 3HD1 LEU 52 9.608 9.814 6.338 431 1HD2 LEU 52 1HD2 LEU 52 7.210 10.544 5.984 432 2HD2 LEU 52 2HD2 LEU 52 6.881 9.892 7.589 433 3HD2 LEU 52 3HD2 LEU 52 6.432 11.554 7.203 434 HA PRO 53 HA PRO 53 9.183 17.465 7.228 435 1HB PRO 53 1HB PRO 53 10.474 17.585 9.646 436 2HB PRO 53 2HB PRO 53 8.718 17.744 9.464 437 1HG PRO 53 1HG PRO 53 10.308 15.434 10.495 438 2HG PRO 53 2HG PRO 53 8.639 15.895 10.860 439 1HD PRO 53 1HD PRO 53 9.462 13.840 9.078 440 2HD PRO 53 2HD PRO 53 7.822 14.503 9.231 441 H ALA 54 H ALA 54 10.757 15.345 5.959 442 HA ALA 54 HA ALA 54 12.922 15.214 5.045 443 1HB ALA 54 1HB ALA 54 12.653 17.866 6.079 444 2HB ALA 54 2HB ALA 54 14.274 17.284 6.474 445 3HB ALA 54 3HB ALA 54 13.729 17.300 4.796 446 H GLY 55 H GLY 55 12.057 14.580 8.116 447 1HA GLY 55 1HA GLY 55 14.537 14.366 9.535 448 2HA GLY 55 2HA GLY 55 14.229 12.849 8.685 449 H THR 56 H THR 56 14.217 12.402 11.278 450 HA THR 56 HA THR 56 11.834 13.073 12.728 451 HB THR 56 HB THR 56 10.532 11.740 11.294 452 HG1 THR 56 HG1 THR 56 9.877 10.258 12.669 453 1HG2 THR 56 1HG2 THR 56 12.432 10.851 9.978 454 2HG2 THR 56 2HG2 THR 56 12.805 9.728 11.287 455 3HG2 THR 56 3HG2 THR 56 11.292 9.571 10.395 No H/Q in entry = 455 Start of MODEL 6 1 H2 PRO 1 H2 PRO 1 -1.983 11.161 -8.909 2 H3 PRO 1 H3 PRO 1 -3.472 11.345 -9.708 3 HA PRO 1 HA PRO 1 -4.269 9.573 -8.657 4 1HB PRO 1 1HB PRO 1 -2.303 7.557 -9.198 5 2HB PRO 1 2HB PRO 1 -3.874 7.786 -9.979 6 1HG PRO 1 1HG PRO 1 -1.282 8.280 -11.073 7 2HG PRO 1 2HG PRO 1 -2.856 8.547 -11.840 8 1HD PRO 1 1HD PRO 1 -0.983 10.506 -10.756 9 2HD PRO 1 2HD PRO 1 -2.492 10.828 -11.619 10 H GLU 2 H GLU 2 -3.546 10.748 -6.638 11 HA GLU 2 HA GLU 2 -1.113 9.898 -5.305 12 1HB GLU 2 1HB GLU 2 -3.199 11.817 -4.857 13 2HB GLU 2 2HB GLU 2 -3.013 10.841 -3.401 14 1HG GLU 2 1HG GLU 2 -0.458 11.225 -3.757 15 2HG GLU 2 2HG GLU 2 -0.966 12.555 -4.797 16 H PHE 3 H PHE 3 -0.858 8.288 -3.774 17 HA PHE 3 HA PHE 3 -3.250 6.738 -2.930 18 1HB PHE 3 1HB PHE 3 -2.665 5.242 -4.608 19 2HB PHE 3 2HB PHE 3 -1.009 5.845 -4.678 20 HD1 PHE 3 HD1 PHE 3 -3.057 3.147 -3.577 21 HD2 PHE 3 HD2 PHE 3 0.523 5.333 -2.765 22 HE1 PHE 3 HE1 PHE 3 -2.150 1.219 -2.355 23 HE2 PHE 3 HE2 PHE 3 1.437 3.407 -1.597 24 HZ PHE 3 HZ PHE 3 0.093 1.298 -1.402 25 H LEU 4 H LEU 4 -2.674 5.287 -1.101 26 HA LEU 4 HA LEU 4 -1.405 6.642 1.007 27 1HB LEU 4 1HB LEU 4 -1.082 4.217 1.951 28 2HB LEU 4 2HB LEU 4 -2.713 4.806 1.683 29 HG LEU 4 HG LEU 4 -1.716 3.685 -0.761 30 1HD1 LEU 4 1HD1 LEU 4 -1.407 2.067 1.745 31 2HD1 LEU 4 2HD1 LEU 4 -1.530 1.330 0.149 32 3HD1 LEU 4 3HD1 LEU 4 -0.178 2.396 0.536 33 1HD2 LEU 4 1HD2 LEU 4 -3.952 3.326 1.172 34 2HD2 LEU 4 2HD2 LEU 4 -4.012 3.589 -0.571 35 3HD2 LEU 4 3HD2 LEU 4 -3.636 1.988 0.066 36 H GLU 5 H GLU 5 0.643 7.487 0.161 37 HA GLU 5 HA GLU 5 2.714 5.751 -0.829 38 1HB GLU 5 1HB GLU 5 2.931 8.446 0.553 39 2HB GLU 5 2HB GLU 5 4.242 7.644 -0.309 40 1HG GLU 5 1HG GLU 5 3.408 9.066 -1.953 41 2HG GLU 5 2HG GLU 5 2.505 7.589 -2.316 42 H ASP 6 H ASP 6 1.338 6.149 2.233 43 HA ASP 6 HA ASP 6 3.308 4.331 3.407 44 1HB ASP 6 1HB ASP 6 4.498 6.143 4.180 45 2HB ASP 6 2HB ASP 6 3.099 7.213 4.171 46 HA PRO 7 HA PRO 7 -0.950 3.496 4.755 47 1HB PRO 7 1HB PRO 7 -0.572 0.772 4.801 48 2HB PRO 7 2HB PRO 7 -1.065 1.676 3.370 49 1HG PRO 7 1HG PRO 7 1.582 0.477 4.025 50 2HG PRO 7 2HG PRO 7 0.873 0.835 2.443 51 1HD PRO 7 1HD PRO 7 2.868 2.378 3.759 52 2HD PRO 7 2HD PRO 7 1.915 2.887 2.350 53 H SER 8 H SER 8 1.133 4.283 6.627 54 HA SER 8 HA SER 8 1.481 2.187 8.599 55 1HB SER 8 1HB SER 8 2.885 3.673 9.597 56 2HB SER 8 2HB SER 8 2.689 4.616 8.118 57 HG SER 8 HG SER 8 1.564 4.976 10.639 58 H VAL 9 H VAL 9 -1.242 3.800 7.653 59 HA VAL 9 HA VAL 9 -2.374 3.724 10.413 60 HB VAL 9 HB VAL 9 -3.821 5.525 9.871 61 1HG1 VAL 9 1HG1 VAL 9 -4.400 4.647 7.597 62 2HG1 VAL 9 2HG1 VAL 9 -4.116 6.388 7.620 63 3HG1 VAL 9 3HG1 VAL 9 -2.874 5.301 7.004 64 1HG2 VAL 9 1HG2 VAL 9 -0.997 5.747 9.517 65 2HG2 VAL 9 2HG2 VAL 9 -1.772 6.828 8.359 66 3HG2 VAL 9 3HG2 VAL 9 -2.121 6.982 10.081 67 H LEU 10 H LEU 10 -2.878 2.807 7.017 68 HA LEU 10 HA LEU 10 -5.489 1.591 7.740 69 1HB LEU 10 1HB LEU 10 -5.073 0.654 5.223 70 2HB LEU 10 2HB LEU 10 -5.826 2.229 5.539 71 HG LEU 10 HG LEU 10 -2.824 1.990 5.321 72 1HD1 LEU 10 1HD1 LEU 10 -4.224 1.024 3.285 73 2HD1 LEU 10 2HD1 LEU 10 -4.448 2.733 2.920 74 3HD1 LEU 10 3HD1 LEU 10 -2.826 2.063 3.005 75 1HD2 LEU 10 1HD2 LEU 10 -4.640 4.070 5.839 76 2HD2 LEU 10 2HD2 LEU 10 -2.923 4.237 5.473 77 3HD2 LEU 10 3HD2 LEU 10 -4.114 4.321 4.176 78 H THR 11 H THR 11 -5.764 -0.319 8.264 79 HA THR 11 HA THR 11 -3.962 -2.293 8.995 80 HB THR 11 HB THR 11 -6.282 -2.555 9.501 81 HG1 THR 11 HG1 THR 11 -6.785 -4.548 8.546 82 1HG2 THR 11 1HG2 THR 11 -6.603 -2.154 6.516 83 2HG2 THR 11 2HG2 THR 11 -7.933 -2.738 7.532 84 3HG2 THR 11 3HG2 THR 11 -7.239 -1.132 7.816 85 H LYS 12 H LYS 12 -4.037 -4.542 7.715 86 HA LYS 12 HA LYS 12 -2.777 -4.021 5.124 87 1HB LYS 12 1HB LYS 12 -2.783 -6.156 7.038 88 2HB LYS 12 2HB LYS 12 -3.311 -6.809 5.491 89 1HG LYS 12 1HG LYS 12 -1.056 -6.994 5.144 90 2HG LYS 12 2HG LYS 12 -1.225 -5.313 4.640 91 1HD LYS 12 1HD LYS 12 0.592 -5.397 6.236 92 2HD LYS 12 2HD LYS 12 -0.780 -4.630 7.033 93 1HE LYS 12 1HE LYS 12 -1.388 -6.874 8.001 94 2HE LYS 12 2HE LYS 12 0.116 -7.514 7.335 95 1HZ LYS 12 1HZ LYS 12 0.695 -5.143 8.697 96 2HZ LYS 12 2HZ LYS 12 -0.264 -6.101 9.720 97 3HZ LYS 12 3HZ LYS 12 1.185 -6.720 9.082 98 H ASP 13 H ASP 13 -5.915 -4.158 6.130 99 HA ASP 13 HA ASP 13 -6.924 -5.663 3.785 100 1HB ASP 13 1HB ASP 13 -7.812 -5.274 6.485 101 2HB ASP 13 2HB ASP 13 -9.068 -4.697 5.388 102 H LYS 14 H LYS 14 -6.451 -2.354 4.736 103 HA LYS 14 HA LYS 14 -8.632 -1.386 2.968 104 1HB LYS 14 1HB LYS 14 -7.953 -0.411 5.224 105 2HB LYS 14 2HB LYS 14 -6.568 0.239 4.364 106 1HG LYS 14 1HG LYS 14 -9.473 0.749 3.724 107 2HG LYS 14 2HG LYS 14 -8.322 1.890 4.427 108 1HD LYS 14 1HD LYS 14 -8.087 0.667 1.658 109 2HD LYS 14 2HD LYS 14 -8.582 2.284 2.043 110 1HE LYS 14 1HE LYS 14 -5.972 1.225 3.005 111 2HE LYS 14 2HE LYS 14 -6.126 2.040 1.459 112 1HZ LYS 14 1HZ LYS 14 -7.468 3.538 3.416 113 2HZ LYS 14 2HZ LYS 14 -5.903 3.206 3.974 114 3HZ LYS 14 3HZ LYS 14 -6.121 3.984 2.481 115 H LEU 15 H LEU 15 -5.179 -0.779 3.374 116 HA LEU 15 HA LEU 15 -4.493 0.533 1.090 117 1HB LEU 15 1HB LEU 15 -2.564 -1.507 1.136 118 2HB LEU 15 2HB LEU 15 -2.463 0.069 1.914 119 HG LEU 15 HG LEU 15 -3.445 -0.797 3.959 120 1HD1 LEU 15 1HD1 LEU 15 -4.354 -2.875 2.241 121 2HD1 LEU 15 2HD1 LEU 15 -3.301 -3.602 3.451 122 3HD1 LEU 15 3HD1 LEU 15 -4.716 -2.647 3.965 123 1HD2 LEU 15 1HD2 LEU 15 -0.955 -1.084 3.348 124 2HD2 LEU 15 2HD2 LEU 15 -1.578 -2.054 4.682 125 3HD2 LEU 15 3HD2 LEU 15 -1.352 -2.782 3.090 126 H LYS 16 H LYS 16 -5.665 -2.786 1.199 127 HA LYS 16 HA LYS 16 -4.845 -3.294 -1.503 128 1HB LYS 16 1HB LYS 16 -5.476 -5.429 -1.073 129 2HB LYS 16 2HB LYS 16 -5.172 -4.893 0.546 130 1HG LYS 16 1HG LYS 16 -7.438 -4.603 0.986 131 2HG LYS 16 2HG LYS 16 -7.891 -4.723 -0.697 132 1HD LYS 16 1HD LYS 16 -8.207 -6.934 -0.408 133 2HD LYS 16 2HD LYS 16 -6.474 -7.081 -0.118 134 1HE LYS 16 1HE LYS 16 -7.802 -8.017 1.756 135 2HE LYS 16 2HE LYS 16 -6.809 -6.652 2.266 136 1HZ LYS 16 1HZ LYS 16 -9.120 -5.489 1.448 137 2HZ LYS 16 2HZ LYS 16 -9.666 -6.913 2.195 138 3HZ LYS 16 3HZ LYS 16 -8.702 -5.815 3.057 139 H SER 17 H SER 17 -7.865 -2.775 0.212 140 HA SER 17 HA SER 17 -9.709 -2.833 -1.870 141 1HB SER 17 1HB SER 17 -9.517 -1.437 0.667 142 2HB SER 17 2HB SER 17 -10.394 -0.490 -0.525 143 HG SER 17 HG SER 17 -11.035 -2.905 0.665 144 H GLU 18 H GLU 18 -7.159 -0.527 -1.288 145 HA GLU 18 HA GLU 18 -8.093 1.304 -3.389 146 1HB GLU 18 1HB GLU 18 -5.321 1.378 -2.294 147 2HB GLU 18 2HB GLU 18 -6.372 2.708 -2.730 148 1HG GLU 18 1HG GLU 18 -7.785 1.579 -0.673 149 2HG GLU 18 2HG GLU 18 -6.141 1.262 -0.157 150 H LEU 19 H LEU 19 -5.075 -0.603 -2.895 151 HA LEU 19 HA LEU 19 -3.849 -0.544 -5.320 152 1HB LEU 19 1HB LEU 19 -4.422 -2.848 -3.505 153 2HB LEU 19 2HB LEU 19 -3.660 -3.178 -5.029 154 HG LEU 19 HG LEU 19 -2.485 -0.896 -3.587 155 1HD1 LEU 19 1HD1 LEU 19 -1.813 -2.384 -5.649 156 2HD1 LEU 19 2HD1 LEU 19 -0.578 -1.738 -4.569 157 3HD1 LEU 19 3HD1 LEU 19 -1.114 -3.412 -4.402 158 1HD2 LEU 19 1HD2 LEU 19 -2.871 -3.553 -2.298 159 2HD2 LEU 19 2HD2 LEU 19 -1.222 -2.929 -2.244 160 3HD2 LEU 19 3HD2 LEU 19 -2.547 -1.992 -1.536 161 H VAL 20 H VAL 20 -6.852 -2.234 -4.631 162 HA VAL 20 HA VAL 20 -7.243 -3.644 -7.025 163 HB VAL 20 HB VAL 20 -9.387 -2.180 -5.450 164 1HG1 VAL 20 1HG1 VAL 20 -7.478 -4.016 -4.446 165 2HG1 VAL 20 2HG1 VAL 20 -8.939 -3.432 -3.649 166 3HG1 VAL 20 3HG1 VAL 20 -8.994 -4.905 -4.614 167 1HG2 VAL 20 1HG2 VAL 20 -9.840 -3.477 -7.666 168 2HG2 VAL 20 2HG2 VAL 20 -9.548 -4.922 -6.698 169 3HG2 VAL 20 3HG2 VAL 20 -10.863 -3.826 -6.272 170 H ALA 21 H ALA 21 -8.524 -0.430 -6.183 171 HA ALA 21 HA ALA 21 -9.305 0.263 -8.859 172 1HB ALA 21 1HB ALA 21 -9.572 2.522 -7.929 173 2HB ALA 21 2HB ALA 21 -10.222 1.324 -6.807 174 3HB ALA 21 3HB ALA 21 -8.639 2.054 -6.503 175 H ASN 22 H ASN 22 -6.232 0.288 -7.257 176 HA ASN 22 HA ASN 22 -5.152 2.303 -9.132 177 1HB ASN 22 1HB ASN 22 -3.800 0.856 -6.834 178 2HB ASN 22 2HB ASN 22 -3.147 2.243 -7.708 179 2HD2 ASN 22 2HD2 ASN 22 -4.785 1.527 -4.857 180 1HD2 ASN 22 1HD2 ASN 22 -5.651 2.970 -4.669 181 H ASN 23 H ASN 23 -5.955 -0.205 -10.261 182 HA ASN 23 HA ASN 23 -5.153 -1.814 -11.759 183 1HB ASN 23 1HB ASN 23 -4.156 0.143 -12.820 184 2HB ASN 23 2HB ASN 23 -2.771 0.056 -11.732 185 2HD2 ASN 23 2HD2 ASN 23 -4.165 -2.952 -12.876 186 1HD2 ASN 23 1HD2 ASN 23 -2.920 -3.340 -13.966 187 H VAL 24 H VAL 24 -4.952 -2.872 -9.307 188 HA VAL 24 HA VAL 24 -2.432 -4.405 -9.496 189 HB VAL 24 HB VAL 24 -3.331 -3.187 -6.867 190 1HG1 VAL 24 1HG1 VAL 24 -1.329 -5.174 -7.723 191 2HG1 VAL 24 2HG1 VAL 24 -0.672 -3.902 -6.695 192 3HG1 VAL 24 3HG1 VAL 24 -2.015 -4.893 -6.125 193 1HG2 VAL 24 1HG2 VAL 24 -1.403 -2.259 -8.974 194 2HG2 VAL 24 2HG2 VAL 24 -2.503 -1.310 -7.977 195 3HG2 VAL 24 3HG2 VAL 24 -1.019 -1.959 -7.280 196 H THR 25 H THR 25 -2.769 -6.576 -8.876 197 HA THR 25 HA THR 25 -5.569 -7.295 -8.471 198 HB THR 25 HB THR 25 -4.121 -9.615 -8.350 199 HG1 THR 25 HG1 THR 25 -2.899 -7.916 -10.250 200 1HG2 THR 25 1HG2 THR 25 -5.217 -8.126 -10.743 201 2HG2 THR 25 2HG2 THR 25 -4.771 -9.832 -10.758 202 3HG2 THR 25 3HG2 THR 25 -6.088 -9.275 -9.727 203 H LEU 26 H LEU 26 -6.258 -8.685 -6.832 204 HA LEU 26 HA LEU 26 -4.682 -8.691 -4.332 205 1HB LEU 26 1HB LEU 26 -7.636 -8.154 -4.757 206 2HB LEU 26 2HB LEU 26 -6.907 -8.399 -3.174 207 HG LEU 26 HG LEU 26 -5.263 -6.520 -4.013 208 1HD1 LEU 26 1HD1 LEU 26 -6.218 -6.470 -6.248 209 2HD1 LEU 26 2HD1 LEU 26 -7.690 -5.815 -5.553 210 3HD1 LEU 26 3HD1 LEU 26 -6.170 -4.917 -5.427 211 1HD2 LEU 26 1HD2 LEU 26 -6.891 -6.403 -2.079 212 2HD2 LEU 26 2HD2 LEU 26 -6.628 -4.862 -2.900 213 3HD2 LEU 26 3HD2 LEU 26 -8.086 -5.799 -3.226 214 HA PRO 27 HA PRO 27 -5.794 -13.006 -4.998 215 1HB PRO 27 1HB PRO 27 -3.596 -13.987 -3.653 216 2HB PRO 27 2HB PRO 27 -3.532 -13.434 -5.337 217 1HG PRO 27 1HG PRO 27 -2.396 -12.163 -2.921 218 2HG PRO 27 2HG PRO 27 -2.033 -11.841 -4.622 219 1HD PRO 27 1HD PRO 27 -3.759 -10.348 -2.837 220 2HD PRO 27 2HD PRO 27 -3.320 -9.930 -4.491 221 H ALA 28 H ALA 28 -3.987 -13.049 -1.977 222 HA ALA 28 HA ALA 28 -5.708 -14.626 -0.494 223 1HB ALA 28 1HB ALA 28 -3.566 -12.734 0.133 224 2HB ALA 28 2HB ALA 28 -4.774 -12.833 1.416 225 3HB ALA 28 3HB ALA 28 -3.943 -14.290 0.875 226 H GLY 29 H GLY 29 -6.993 -13.842 1.520 227 1HA GLY 29 1HA GLY 29 -9.313 -13.011 1.735 228 2HA GLY 29 2HA GLY 29 -8.893 -11.743 0.577 229 H GLU 30 H GLU 30 -8.794 -12.689 3.940 230 HA GLU 30 HA GLU 30 -8.712 -10.101 4.974 231 1HB GLU 30 1HB GLU 30 -9.070 -11.536 6.716 232 2HB GLU 30 2HB GLU 30 -8.065 -12.801 6.024 233 1HG GLU 30 1HG GLU 30 -7.151 -11.857 8.161 234 2HG GLU 30 2HG GLU 30 -6.044 -11.679 6.801 235 H GLN 31 H GLN 31 -5.792 -12.210 4.831 236 HA GLN 31 HA GLN 31 -4.219 -10.411 3.414 237 1HB GLN 31 1HB GLN 31 -4.308 -8.778 5.143 238 2HB GLN 31 2HB GLN 31 -4.091 -9.989 6.399 239 1HG GLN 31 1HG GLN 31 -1.872 -9.794 4.407 240 2HG GLN 31 2HG GLN 31 -2.099 -8.431 5.490 241 2HE2 GLN 31 2HE2 GLN 31 -1.492 -8.689 7.691 242 1HE2 GLN 31 1HE2 GLN 31 -0.911 -10.145 8.338 243 H ARG 32 H ARG 32 -2.592 -11.579 2.707 244 HA ARG 32 HA ARG 32 -1.983 -14.196 3.512 245 1HB ARG 32 1HB ARG 32 -1.144 -12.161 1.620 246 2HB ARG 32 2HB ARG 32 0.252 -13.003 2.248 247 1HG ARG 32 1HG ARG 32 -1.093 -15.169 1.690 248 2HG ARG 32 2HG ARG 32 -2.094 -14.082 0.718 249 1HD ARG 32 1HD ARG 32 -0.528 -14.046 -0.918 250 2HD ARG 32 2HD ARG 32 0.711 -13.550 0.238 251 HE ARG 32 HE ARG 32 1.081 -15.971 0.714 252 1HH1 ARG 32 1HH1 ARG 32 -0.279 -17.970 -0.033 253 2HH1 ARG 32 2HH1 ARG 32 -0.233 -18.183 -1.752 254 1HH2 ARG 32 1HH2 ARG 32 0.937 -14.980 -2.382 255 2HH2 ARG 32 2HH2 ARG 32 0.456 -16.490 -3.082 256 H LYS 33 H LYS 33 0.015 -11.263 3.812 257 HA LYS 33 HA LYS 33 0.629 -11.479 6.568 258 1HB LYS 33 1HB LYS 33 1.766 -13.569 6.047 259 2HB LYS 33 2HB LYS 33 2.631 -12.808 4.712 260 1HG LYS 33 1HG LYS 33 4.127 -12.920 6.619 261 2HG LYS 33 2HG LYS 33 3.674 -11.234 6.374 262 1HD LYS 33 1HD LYS 33 2.026 -11.361 8.151 263 2HD LYS 33 2HD LYS 33 2.285 -13.097 8.322 264 1HE LYS 33 1HE LYS 33 4.837 -12.137 8.603 265 2HE LYS 33 2HE LYS 33 3.893 -10.845 9.345 266 1HZ LYS 33 1HZ LYS 33 2.862 -13.326 10.164 267 2HZ LYS 33 2HZ LYS 33 4.540 -13.328 10.427 268 3HZ LYS 33 3HZ LYS 33 3.578 -12.112 11.113 269 H ASP 34 H ASP 34 0.303 -9.149 6.076 270 HA ASP 34 HA ASP 34 1.147 -6.993 5.532 271 1HB ASP 34 1HB ASP 34 3.334 -8.533 6.536 272 2HB ASP 34 2HB ASP 34 3.930 -7.669 5.115 273 H VAL 35 H VAL 35 0.336 -8.952 3.467 274 HA VAL 35 HA VAL 35 2.163 -8.685 1.238 275 HB VAL 35 HB VAL 35 0.580 -10.584 1.434 276 1HG1 VAL 35 1HG1 VAL 35 -1.268 -9.194 2.378 277 2HG1 VAL 35 2HG1 VAL 35 -1.519 -8.544 0.759 278 3HG1 VAL 35 3HG1 VAL 35 -1.753 -10.262 1.056 279 1HG2 VAL 35 1HG2 VAL 35 0.511 -8.700 -0.920 280 2HG2 VAL 35 2HG2 VAL 35 1.329 -10.264 -0.773 281 3HG2 VAL 35 3HG2 VAL 35 -0.425 -10.203 -0.947 282 H TYR 36 H TYR 36 -0.990 -7.220 2.032 283 HA TYR 36 HA TYR 36 -1.056 -5.654 -0.336 284 1HB TYR 36 1HB TYR 36 -2.394 -5.379 2.349 285 2HB TYR 36 2HB TYR 36 -2.860 -4.516 0.892 286 HD1 TYR 36 HD1 TYR 36 -3.104 -7.552 2.750 287 HD2 TYR 36 HD2 TYR 36 -3.396 -5.917 -1.191 288 HE1 TYR 36 HE1 TYR 36 -4.441 -9.489 2.052 289 HE2 TYR 36 HE2 TYR 36 -4.741 -7.852 -1.913 290 HH TYR 36 HH TYR 36 -4.860 -10.475 -0.901 291 H VAL 37 H VAL 37 0.511 -5.294 2.726 292 HA VAL 37 HA VAL 37 0.948 -2.422 2.382 293 HB VAL 37 HB VAL 37 2.067 -4.500 4.314 294 1HG1 VAL 37 1HG1 VAL 37 -0.391 -3.669 4.409 295 2HG1 VAL 37 2HG1 VAL 37 0.566 -3.561 5.892 296 3HG1 VAL 37 3HG1 VAL 37 0.298 -2.121 4.912 297 1HG2 VAL 37 1HG2 VAL 37 3.203 -1.999 3.597 298 2HG2 VAL 37 2HG2 VAL 37 2.420 -1.755 5.158 299 3HG2 VAL 37 3HG2 VAL 37 3.640 -3.016 4.970 300 H GLN 38 H GLN 38 2.743 -5.463 1.921 301 HA GLN 38 HA GLN 38 5.188 -4.206 1.006 302 1HB GLN 38 1HB GLN 38 4.032 -6.980 0.532 303 2HB GLN 38 2HB GLN 38 5.685 -6.501 0.218 304 1HG GLN 38 1HG GLN 38 4.653 -5.972 2.950 305 2HG GLN 38 2HG GLN 38 4.950 -7.656 2.526 306 2HE2 GLN 38 2HE2 GLN 38 7.108 -8.361 2.541 307 1HE2 GLN 38 1HE2 GLN 38 8.447 -7.332 2.731 308 H LEU 39 H LEU 39 2.858 -6.216 -0.734 309 HA LEU 39 HA LEU 39 3.244 -5.779 -3.374 310 1HB LEU 39 1HB LEU 39 0.764 -5.973 -1.753 311 2HB LEU 39 2HB LEU 39 0.518 -5.250 -3.332 312 HG LEU 39 HG LEU 39 2.029 -7.840 -2.987 313 1HD1 LEU 39 1HD1 LEU 39 -0.626 -7.512 -2.303 314 2HD1 LEU 39 2HD1 LEU 39 -0.736 -7.936 -4.011 315 3HD1 LEU 39 3HD1 LEU 39 0.078 -9.022 -2.888 316 1HD2 LEU 39 1HD2 LEU 39 0.978 -6.146 -5.207 317 2HD2 LEU 39 2HD2 LEU 39 2.446 -7.126 -5.139 318 3HD2 LEU 39 3HD2 LEU 39 0.883 -7.897 -5.418 319 H TYR 40 H TYR 40 1.416 -3.454 -1.373 320 HA TYR 40 HA TYR 40 1.111 -1.403 -3.223 321 1HB TYR 40 1HB TYR 40 0.076 -0.636 -1.373 322 2HB TYR 40 2HB TYR 40 0.913 -1.818 -0.397 323 HD1 TYR 40 HD1 TYR 40 1.955 1.331 -2.195 324 HD2 TYR 40 HD2 TYR 40 1.960 -0.964 1.426 325 HE1 TYR 40 HE1 TYR 40 3.306 3.087 -1.085 326 HE2 TYR 40 HE2 TYR 40 3.314 0.788 2.533 327 HH TYR 40 HH TYR 40 4.220 2.792 2.343 328 H LEU 41 H LEU 41 3.791 -1.578 -0.806 329 HA LEU 41 HA LEU 41 5.200 0.617 -1.888 330 1HB LEU 41 1HB LEU 41 5.541 -1.071 0.252 331 2HB LEU 41 2HB LEU 41 6.883 -1.548 -0.781 332 HG LEU 41 HG LEU 41 7.376 0.997 -0.977 333 1HD1 LEU 41 1HD1 LEU 41 7.727 -0.492 1.639 334 2HD1 LEU 41 2HD1 LEU 41 8.811 -0.547 0.249 335 3HD1 LEU 41 3HD1 LEU 41 8.635 0.946 1.171 336 1HD2 LEU 41 1HD2 LEU 41 5.335 0.913 1.253 337 2HD2 LEU 41 2HD2 LEU 41 6.647 2.088 1.312 338 3HD2 LEU 41 3HD2 LEU 41 5.523 2.099 -0.044 339 H GLN 42 H GLN 42 4.909 -2.628 -3.106 340 HA GLN 42 HA GLN 42 7.356 -2.571 -4.672 341 1HB GLN 42 1HB GLN 42 5.677 -4.548 -3.882 342 2HB GLN 42 2HB GLN 42 5.207 -4.373 -5.570 343 1HG GLN 42 1HG GLN 42 7.958 -4.971 -4.459 344 2HG GLN 42 2HG GLN 42 6.992 -5.964 -5.551 345 2HE2 GLN 42 2HE2 GLN 42 9.079 -3.115 -5.366 346 1HE2 GLN 42 1HE2 GLN 42 9.216 -2.883 -7.043 347 H HIS 43 H HIS 43 3.950 -2.651 -5.842 348 HA HIS 43 HA HIS 43 4.781 -1.630 -8.456 349 1HB HIS 43 1HB HIS 43 1.929 -1.649 -7.521 350 2HB HIS 43 2HB HIS 43 2.579 -2.027 -9.126 351 HD1 HIS 43 HD1 HIS 43 3.457 -4.439 -9.515 352 HD2 HIS 43 HD2 HIS 43 2.065 -3.736 -5.658 353 HE1 HIS 43 HE1 HIS 43 3.297 -6.708 -8.399 354 H LEU 44 H LEU 44 3.208 -0.395 -5.587 355 HA LEU 44 HA LEU 44 2.707 2.193 -6.887 356 1HB LEU 44 1HB LEU 44 2.232 1.305 -4.032 357 2HB LEU 44 2HB LEU 44 1.691 2.818 -4.733 358 HG LEU 44 HG LEU 44 0.438 0.139 -4.890 359 1HD1 LEU 44 1HD1 LEU 44 -0.289 2.662 -4.326 360 2HD1 LEU 44 2HD1 LEU 44 -0.795 2.598 -6.006 361 3HD1 LEU 44 3HD1 LEU 44 -1.435 1.432 -4.848 362 1HD2 LEU 44 1HD2 LEU 44 1.119 1.627 -7.430 363 2HD2 LEU 44 2HD2 LEU 44 0.968 -0.110 -7.169 364 3HD2 LEU 44 3HD2 LEU 44 -0.470 0.899 -7.262 365 H THR 45 H THR 45 5.191 0.719 -4.948 366 HA THR 45 HA THR 45 7.105 1.662 -3.943 367 HB THR 45 HB THR 45 7.644 3.825 -5.588 368 HG1 THR 45 HG1 THR 45 6.461 1.846 -7.200 369 1HG2 THR 45 1HG2 THR 45 8.175 0.858 -5.845 370 2HG2 THR 45 2HG2 THR 45 8.930 2.047 -6.909 371 3HG2 THR 45 3HG2 THR 45 9.246 2.091 -5.173 372 H ALA 46 H ALA 46 4.384 2.946 -3.215 373 HA ALA 46 HA ALA 46 3.644 4.855 -2.076 374 1HB ALA 46 1HB ALA 46 5.209 3.957 -0.385 375 2HB ALA 46 2HB ALA 46 5.250 5.720 -0.399 376 3HB ALA 46 3HB ALA 46 6.546 4.803 -1.166 377 H ARG 47 H ARG 47 3.980 5.464 -4.566 378 HA ARG 47 HA ARG 47 5.443 7.055 -5.982 379 1HB ARG 47 1HB ARG 47 3.306 8.830 -5.532 380 2HB ARG 47 2HB ARG 47 3.380 7.607 -6.766 381 1HG ARG 47 1HG ARG 47 2.633 6.768 -3.984 382 2HG ARG 47 2HG ARG 47 1.453 7.696 -4.877 383 1HD ARG 47 1HD ARG 47 1.986 4.939 -5.094 384 2HD ARG 47 2HD ARG 47 0.877 5.866 -6.085 385 HE ARG 47 HE ARG 47 3.734 5.800 -6.863 386 1HH1 ARG 47 1HH1 ARG 47 0.989 6.568 -8.295 387 2HH1 ARG 47 2HH1 ARG 47 0.977 5.334 -9.509 388 1HH2 ARG 47 1HH2 ARG 47 3.503 3.478 -8.027 389 2HH2 ARG 47 2HH2 ARG 47 2.401 3.584 -9.359 390 H ASN 48 H ASN 48 3.667 9.151 -3.746 391 HA ASN 48 HA ASN 48 6.019 10.909 -3.540 392 1HB ASN 48 1HB ASN 48 3.879 11.595 -1.677 393 2HB ASN 48 2HB ASN 48 4.498 12.512 -3.054 394 2HD2 ASN 48 2HD2 ASN 48 3.913 11.092 -5.241 395 1HD2 ASN 48 1HD2 ASN 48 2.264 10.776 -5.343 396 H ARG 49 H ARG 49 7.330 9.176 -2.496 397 HA ARG 49 HA ARG 49 7.014 7.822 -0.159 398 1HB ARG 49 1HB ARG 49 9.378 9.570 -0.850 399 2HB ARG 49 2HB ARG 49 9.358 8.440 0.494 400 1HG ARG 49 1HG ARG 49 9.028 6.557 -1.000 401 2HG ARG 49 2HG ARG 49 8.784 7.633 -2.377 402 1HD ARG 49 1HD ARG 49 11.014 7.590 -2.762 403 2HD ARG 49 2HD ARG 49 11.274 8.340 -1.186 404 HE ARG 49 HE ARG 49 10.873 5.419 -1.162 405 1HH1 ARG 49 1HH1 ARG 49 13.056 4.440 -1.643 406 2HH1 ARG 49 2HH1 ARG 49 14.372 5.175 -0.791 407 1HH2 ARG 49 1HH2 ARG 49 12.548 7.969 0.154 408 2HH2 ARG 49 2HH2 ARG 49 14.085 7.173 0.227 409 HA PRO 50 HA PRO 50 6.296 10.765 2.994 410 1HB PRO 50 1HB PRO 50 6.956 9.232 5.181 411 2HB PRO 50 2HB PRO 50 5.443 9.035 4.279 412 1HG PRO 50 1HG PRO 50 7.882 7.318 4.277 413 2HG PRO 50 2HG PRO 50 6.211 6.885 3.886 414 1HD PRO 50 1HD PRO 50 8.315 7.401 2.029 415 2HD PRO 50 2HD PRO 50 6.592 7.187 1.651 416 HA PRO 51 HA PRO 51 10.454 12.260 3.651 417 1HB PRO 51 1HB PRO 51 9.735 14.693 4.711 418 2HB PRO 51 2HB PRO 51 9.742 14.339 2.975 419 1HG PRO 51 1HG PRO 51 7.425 14.580 4.843 420 2HG PRO 51 2HG PRO 51 7.488 14.853 3.095 421 1HD PRO 51 1HD PRO 51 6.486 12.543 4.396 422 2HD PRO 51 2HD PRO 51 6.818 12.701 2.662 423 H LEU 52 H LEU 52 8.451 10.996 5.867 424 HA LEU 52 HA LEU 52 8.650 10.481 8.143 425 1HB LEU 52 1HB LEU 52 11.470 11.556 7.910 426 2HB LEU 52 2HB LEU 52 10.865 10.372 9.066 427 HG LEU 52 HG LEU 52 11.904 8.981 7.520 428 1HD1 LEU 52 1HD1 LEU 52 9.412 8.476 7.708 429 2HD1 LEU 52 2HD1 LEU 52 9.209 9.300 6.163 430 3HD1 LEU 52 3HD1 LEU 52 10.196 7.842 6.260 431 1HD2 LEU 52 1HD2 LEU 52 12.131 11.155 5.973 432 2HD2 LEU 52 2HD2 LEU 52 12.386 9.533 5.327 433 3HD2 LEU 52 3HD2 LEU 52 10.841 10.347 5.084 434 HA PRO 53 HA PRO 53 7.846 14.323 10.142 435 1HB PRO 53 1HB PRO 53 7.575 13.352 12.699 436 2HB PRO 53 2HB PRO 53 6.333 13.169 11.447 437 1HG PRO 53 1HG PRO 53 8.240 11.136 12.530 438 2HG PRO 53 2HG PRO 53 6.636 10.899 11.819 439 1HD PRO 53 1HD PRO 53 9.114 10.460 10.515 440 2HD PRO 53 2HD PRO 53 7.524 10.558 9.730 441 H ALA 54 H ALA 54 10.737 12.805 10.254 442 HA ALA 54 HA ALA 54 12.833 13.606 10.978 443 1HB ALA 54 1HB ALA 54 12.041 15.841 12.579 444 2HB ALA 54 2HB ALA 54 11.072 15.835 11.103 445 3HB ALA 54 3HB ALA 54 12.837 15.851 11.005 446 H GLY 55 H GLY 55 12.225 11.572 12.378 447 1HA GLY 55 1HA GLY 55 11.346 11.584 14.997 448 2HA GLY 55 2HA GLY 55 12.996 12.194 15.121 449 H THR 56 H THR 56 14.081 10.615 12.960 450 HA THR 56 HA THR 56 13.601 7.892 12.922 451 HB THR 56 HB THR 56 15.423 9.023 11.652 452 HG1 THR 56 HG1 THR 56 16.707 7.255 11.684 453 1HG2 THR 56 1HG2 THR 56 16.281 10.394 13.535 454 2HG2 THR 56 2HG2 THR 56 16.874 8.928 14.317 455 3HG2 THR 56 3HG2 THR 56 17.568 9.452 12.782 No H/Q in entry = 455 Start of MODEL 7 1 H2 PRO 1 H2 PRO 1 -3.697 7.718 -8.413 2 H3 PRO 1 H3 PRO 1 -3.483 8.370 -9.968 3 HA PRO 1 HA PRO 1 -3.684 10.410 -9.144 4 1HB PRO 1 1HB PRO 1 -6.179 10.291 -7.735 5 2HB PRO 1 2HB PRO 1 -5.866 10.973 -9.331 6 1HG PRO 1 1HG PRO 1 -7.300 8.621 -8.715 7 2HG PRO 1 2HG PRO 1 -6.896 9.251 -10.317 8 1HD PRO 1 1HD PRO 1 -5.694 6.949 -8.916 9 2HD PRO 1 2HD PRO 1 -5.401 7.470 -10.581 10 H GLU 2 H GLU 2 -1.947 9.761 -7.578 11 HA GLU 2 HA GLU 2 -1.051 9.816 -5.410 12 1HB GLU 2 1HB GLU 2 -3.711 11.187 -5.067 13 2HB GLU 2 2HB GLU 2 -2.712 10.836 -3.656 14 1HG GLU 2 1HG GLU 2 -1.638 12.267 -6.096 15 2HG GLU 2 2HG GLU 2 -2.350 13.125 -4.729 16 H PHE 3 H PHE 3 -0.849 8.271 -3.836 17 HA PHE 3 HA PHE 3 -3.194 6.680 -3.007 18 1HB PHE 3 1HB PHE 3 -2.685 5.158 -4.656 19 2HB PHE 3 2HB PHE 3 -1.036 5.760 -4.836 20 HD1 PHE 3 HD1 PHE 3 0.511 5.321 -2.806 21 HD2 PHE 3 HD2 PHE 3 -2.921 3.003 -3.847 22 HE1 PHE 3 HE1 PHE 3 1.453 3.381 -1.635 23 HE2 PHE 3 HE2 PHE 3 -1.998 1.081 -2.642 24 HZ PHE 3 HZ PHE 3 0.182 1.231 -1.549 25 H LEU 4 H LEU 4 -2.879 5.784 -0.971 26 HA LEU 4 HA LEU 4 -1.259 7.045 0.871 27 1HB LEU 4 1HB LEU 4 -1.177 4.594 2.031 28 2HB LEU 4 2HB LEU 4 -2.610 5.605 2.035 29 HG LEU 4 HG LEU 4 -3.765 4.251 0.625 30 1HD1 LEU 4 1HD1 LEU 4 -2.173 2.976 2.484 31 2HD1 LEU 4 2HD1 LEU 4 -3.569 2.274 1.669 32 3HD1 LEU 4 3HD1 LEU 4 -1.945 2.019 1.018 33 1HD2 LEU 4 1HD2 LEU 4 -1.214 4.092 -0.774 34 2HD2 LEU 4 2HD2 LEU 4 -2.085 2.569 -0.724 35 3HD2 LEU 4 3HD2 LEU 4 -2.853 3.994 -1.411 36 H GLU 5 H GLU 5 0.835 7.513 0.115 37 HA GLU 5 HA GLU 5 2.649 5.388 -0.758 38 1HB GLU 5 1HB GLU 5 3.307 8.212 0.152 39 2HB GLU 5 2HB GLU 5 4.315 7.154 -0.835 40 1HG GLU 5 1HG GLU 5 3.203 7.728 -2.726 41 2HG GLU 5 2HG GLU 5 1.651 7.513 -1.987 42 H ASP 6 H ASP 6 1.296 5.978 2.150 43 HA ASP 6 HA ASP 6 3.391 4.579 3.622 44 1HB ASP 6 1HB ASP 6 2.972 7.488 3.874 45 2HB ASP 6 2HB ASP 6 2.895 6.618 5.407 46 HA PRO 7 HA PRO 7 -0.920 3.646 4.835 47 1HB PRO 7 1HB PRO 7 -0.566 0.910 4.670 48 2HB PRO 7 2HB PRO 7 -1.086 1.899 3.302 49 1HG PRO 7 1HG PRO 7 1.557 0.651 3.817 50 2HG PRO 7 2HG PRO 7 0.816 1.136 2.283 51 1HD PRO 7 1HD PRO 7 2.841 2.554 3.696 52 2HD PRO 7 2HD PRO 7 1.902 3.166 2.318 53 H SER 8 H SER 8 0.448 4.502 6.877 54 HA SER 8 HA SER 8 1.223 2.214 8.612 55 1HB SER 8 1HB SER 8 2.714 4.286 8.256 56 2HB SER 8 2HB SER 8 1.562 5.136 9.286 57 HG SER 8 HG SER 8 3.391 3.146 9.906 58 H VAL 9 H VAL 9 -1.564 3.976 8.029 59 HA VAL 9 HA VAL 9 -2.397 3.592 10.873 60 HB VAL 9 HB VAL 9 -3.520 5.600 10.948 61 1HG1 VAL 9 1HG1 VAL 9 -4.906 5.033 8.883 62 2HG1 VAL 9 2HG1 VAL 9 -4.545 6.739 9.120 63 3HG1 VAL 9 3HG1 VAL 9 -3.637 5.808 7.933 64 1HG2 VAL 9 1HG2 VAL 9 -1.398 6.086 8.839 65 2HG2 VAL 9 2HG2 VAL 9 -2.142 7.334 9.840 66 3HG2 VAL 9 3HG2 VAL 9 -1.146 6.083 10.585 67 H LEU 10 H LEU 10 -3.589 3.610 7.502 68 HA LEU 10 HA LEU 10 -6.169 2.611 7.928 69 1HB LEU 10 1HB LEU 10 -5.440 1.135 5.681 70 2HB LEU 10 2HB LEU 10 -6.021 2.798 5.646 71 HG LEU 10 HG LEU 10 -3.814 3.705 5.600 72 1HD1 LEU 10 1HD1 LEU 10 -4.539 1.636 3.714 73 2HD1 LEU 10 2HD1 LEU 10 -3.862 3.233 3.407 74 3HD1 LEU 10 3HD1 LEU 10 -2.812 1.870 3.788 75 1HD2 LEU 10 1HD2 LEU 10 -3.038 1.522 7.108 76 2HD2 LEU 10 2HD2 LEU 10 -2.269 1.214 5.555 77 3HD2 LEU 10 3HD2 LEU 10 -1.961 2.720 6.414 78 H THR 11 H THR 11 -3.956 0.106 6.731 79 HA THR 11 HA THR 11 -3.596 -1.610 8.820 80 HB THR 11 HB THR 11 -5.871 -1.506 9.482 81 HG1 THR 11 HG1 THR 11 -6.741 -3.544 8.788 82 1HG2 THR 11 1HG2 THR 11 -6.290 -1.247 6.557 83 2HG2 THR 11 2HG2 THR 11 -7.598 -2.010 7.472 84 3HG2 THR 11 3HG2 THR 11 -7.078 -0.364 7.873 85 H LYS 12 H LYS 12 -4.137 -4.063 7.862 86 HA LYS 12 HA LYS 12 -2.986 -3.977 5.152 87 1HB LYS 12 1HB LYS 12 -3.012 -5.902 7.329 88 2HB LYS 12 2HB LYS 12 -3.560 -6.666 5.838 89 1HG LYS 12 1HG LYS 12 -1.355 -6.906 5.359 90 2HG LYS 12 2HG LYS 12 -1.370 -5.186 4.988 91 1HD LYS 12 1HD LYS 12 0.411 -5.583 6.580 92 2HD LYS 12 2HD LYS 12 -0.886 -4.725 7.415 93 1HE LYS 12 1HE LYS 12 -1.719 -7.189 7.951 94 2HE LYS 12 2HE LYS 12 -0.020 -7.582 7.686 95 1HZ LYS 12 1HZ LYS 12 -0.396 -5.245 9.305 96 2HZ LYS 12 2HZ LYS 12 -1.083 -6.634 9.995 97 3HZ LYS 12 3HZ LYS 12 0.565 -6.618 9.586 98 H ASP 13 H ASP 13 -5.897 -3.338 6.054 99 HA ASP 13 HA ASP 13 -7.298 -5.195 4.188 100 1HB ASP 13 1HB ASP 13 -7.882 -4.431 6.853 101 2HB ASP 13 2HB ASP 13 -9.085 -3.646 5.831 102 H LYS 14 H LYS 14 -6.795 -1.744 4.986 103 HA LYS 14 HA LYS 14 -8.752 -0.895 2.975 104 1HB LYS 14 1HB LYS 14 -8.228 0.343 5.105 105 2HB LYS 14 2HB LYS 14 -6.690 0.782 4.389 106 1HG LYS 14 1HG LYS 14 -9.444 1.442 3.286 107 2HG LYS 14 2HG LYS 14 -8.333 2.565 4.071 108 1HD LYS 14 1HD LYS 14 -7.961 1.191 1.400 109 2HD LYS 14 2HD LYS 14 -8.126 2.912 1.686 110 1HE LYS 14 1HE LYS 14 -5.903 1.415 3.012 111 2HE LYS 14 2HE LYS 14 -5.735 1.920 1.337 112 1HZ LYS 14 1HZ LYS 14 -6.741 4.124 2.511 113 2HZ LYS 14 2HZ LYS 14 -5.737 3.514 3.735 114 3HZ LYS 14 3HZ LYS 14 -5.096 3.860 2.199 115 H LEU 15 H LEU 15 -5.237 -0.578 3.400 116 HA LEU 15 HA LEU 15 -4.454 0.591 1.049 117 1HB LEU 15 1HB LEU 15 -2.684 -1.592 1.193 118 2HB LEU 15 2HB LEU 15 -2.439 0.010 1.893 119 HG LEU 15 HG LEU 15 -3.517 -0.703 3.970 120 1HD1 LEU 15 1HD1 LEU 15 -4.573 -2.734 2.321 121 2HD1 LEU 15 2HD1 LEU 15 -3.509 -3.534 3.478 122 3HD1 LEU 15 3HD1 LEU 15 -4.840 -2.512 4.064 123 1HD2 LEU 15 1HD2 LEU 15 -1.056 -1.098 3.472 124 2HD2 LEU 15 2HD2 LEU 15 -1.748 -2.107 4.742 125 3HD2 LEU 15 3HD2 LEU 15 -1.492 -2.772 3.127 126 H LYS 16 H LYS 16 -5.974 -2.521 1.332 127 HA LYS 16 HA LYS 16 -5.260 -3.377 -1.342 128 1HB LYS 16 1HB LYS 16 -7.586 -4.529 0.116 129 2HB LYS 16 2HB LYS 16 -6.316 -5.320 -0.765 130 1HG LYS 16 1HG LYS 16 -4.762 -4.912 1.058 131 2HG LYS 16 2HG LYS 16 -6.042 -4.127 1.958 132 1HD LYS 16 1HD LYS 16 -6.241 -6.935 0.881 133 2HD LYS 16 2HD LYS 16 -5.711 -6.598 2.522 134 1HE LYS 16 1HE LYS 16 -8.013 -7.085 2.739 135 2HE LYS 16 2HE LYS 16 -7.999 -5.329 2.729 136 1HZ LYS 16 1HZ LYS 16 -8.096 -6.335 0.086 137 2HZ LYS 16 2HZ LYS 16 -9.357 -6.996 1.008 138 3HZ LYS 16 3HZ LYS 16 -9.191 -5.310 0.884 139 H SER 17 H SER 17 -8.251 -2.363 0.311 140 HA SER 17 HA SER 17 -10.043 -2.279 -1.786 141 1HB SER 17 1HB SER 17 -9.660 -0.704 0.658 142 2HB SER 17 2HB SER 17 -10.615 0.094 -0.579 143 HG SER 17 HG SER 17 -12.113 -1.428 -0.451 144 H GLU 18 H GLU 18 -7.242 -0.316 -1.284 145 HA GLU 18 HA GLU 18 -7.953 1.590 -3.406 146 1HB GLU 18 1HB GLU 18 -5.220 1.447 -2.196 147 2HB GLU 18 2HB GLU 18 -6.156 2.855 -2.660 148 1HG GLU 18 1HG GLU 18 -6.485 1.141 -0.185 149 2HG GLU 18 2HG GLU 18 -6.208 2.876 -0.252 150 H LEU 19 H LEU 19 -5.132 -0.576 -2.820 151 HA LEU 19 HA LEU 19 -3.833 -0.629 -5.187 152 1HB LEU 19 1HB LEU 19 -4.649 -2.926 -3.429 153 2HB LEU 19 2HB LEU 19 -3.820 -3.254 -4.922 154 HG LEU 19 HG LEU 19 -2.574 -1.079 -3.452 155 1HD1 LEU 19 1HD1 LEU 19 -1.882 -3.674 -4.769 156 2HD1 LEU 19 2HD1 LEU 19 -1.344 -2.046 -5.181 157 3HD1 LEU 19 3HD1 LEU 19 -0.682 -2.864 -3.765 158 1HD2 LEU 19 1HD2 LEU 19 -3.330 -3.552 -2.052 159 2HD2 LEU 19 2HD2 LEU 19 -1.599 -3.229 -2.006 160 3HD2 LEU 19 3HD2 LEU 19 -2.731 -2.032 -1.377 161 H VAL 20 H VAL 20 -7.043 -2.052 -4.700 162 HA VAL 20 HA VAL 20 -7.236 -3.201 -7.347 163 HB VAL 20 HB VAL 20 -9.285 -2.441 -5.250 164 1HG1 VAL 20 1HG1 VAL 20 -8.159 -5.043 -6.312 165 2HG1 VAL 20 2HG1 VAL 20 -7.971 -4.381 -4.688 166 3HG1 VAL 20 3HG1 VAL 20 -9.549 -4.953 -5.230 167 1HG2 VAL 20 1HG2 VAL 20 -9.704 -3.682 -7.986 168 2HG2 VAL 20 2HG2 VAL 20 -10.907 -3.722 -6.697 169 3HG2 VAL 20 3HG2 VAL 20 -10.401 -2.178 -7.385 170 H ALA 21 H ALA 21 -8.643 -0.258 -5.904 171 HA ALA 21 HA ALA 21 -9.759 0.803 -8.291 172 1HB ALA 21 1HB ALA 21 -9.753 2.952 -7.086 173 2HB ALA 21 2HB ALA 21 -10.273 1.647 -6.019 174 3HB ALA 21 3HB ALA 21 -8.630 2.285 -5.896 175 H ASN 22 H ASN 22 -6.486 0.426 -7.399 176 HA ASN 22 HA ASN 22 -5.635 2.641 -9.181 177 1HB ASN 22 1HB ASN 22 -3.982 0.912 -7.310 178 2HB ASN 22 2HB ASN 22 -3.441 2.395 -8.106 179 2HD2 ASN 22 2HD2 ASN 22 -4.664 1.337 -5.131 180 1HD2 ASN 22 1HD2 ASN 22 -5.482 2.746 -4.654 181 H ASN 23 H ASN 23 -3.868 -0.420 -8.642 182 HA ASN 23 HA ASN 23 -4.542 -1.527 -11.217 183 1HB ASN 23 1HB ASN 23 -2.407 -1.076 -12.378 184 2HB ASN 23 2HB ASN 23 -3.275 0.419 -12.025 185 2HD2 ASN 23 2HD2 ASN 23 -1.381 1.769 -11.856 186 1HD2 ASN 23 1HD2 ASN 23 -0.238 1.581 -10.612 187 H VAL 24 H VAL 24 -4.453 -2.823 -8.853 188 HA VAL 24 HA VAL 24 -2.149 -4.656 -9.230 189 HB VAL 24 HB VAL 24 -2.945 -3.672 -6.484 190 1HG1 VAL 24 1HG1 VAL 24 -1.160 -5.688 -7.553 191 2HG1 VAL 24 2HG1 VAL 24 -0.250 -4.491 -6.631 192 3HG1 VAL 24 3HG1 VAL 24 -1.583 -5.364 -5.872 193 1HG2 VAL 24 1HG2 VAL 24 -1.105 -2.493 -8.516 194 2HG2 VAL 24 2HG2 VAL 24 -2.057 -1.692 -7.267 195 3HG2 VAL 24 3HG2 VAL 24 -0.555 -2.513 -6.844 196 H THR 25 H THR 25 -2.743 -6.818 -8.829 197 HA THR 25 HA THR 25 -5.589 -7.323 -8.480 198 HB THR 25 HB THR 25 -4.244 -9.743 -8.248 199 HG1 THR 25 HG1 THR 25 -2.388 -9.479 -9.154 200 1HG2 THR 25 1HG2 THR 25 -5.506 -8.244 -10.532 201 2HG2 THR 25 2HG2 THR 25 -4.855 -9.867 -10.761 202 3HG2 THR 25 3HG2 THR 25 -6.162 -9.596 -9.609 203 H LEU 26 H LEU 26 -6.379 -8.804 -6.787 204 HA LEU 26 HA LEU 26 -4.871 -8.439 -4.232 205 1HB LEU 26 1HB LEU 26 -7.853 -8.798 -4.592 206 2HB LEU 26 2HB LEU 26 -7.044 -8.468 -3.083 207 HG LEU 26 HG LEU 26 -8.103 -6.653 -4.923 208 1HD1 LEU 26 1HD1 LEU 26 -5.122 -6.600 -4.845 209 2HD1 LEU 26 2HD1 LEU 26 -6.204 -6.354 -6.213 210 3HD1 LEU 26 3HD1 LEU 26 -6.029 -5.099 -4.990 211 1HD2 LEU 26 1HD2 LEU 26 -7.396 -6.754 -2.232 212 2HD2 LEU 26 2HD2 LEU 26 -6.479 -5.394 -2.896 213 3HD2 LEU 26 3HD2 LEU 26 -8.237 -5.441 -3.052 214 HA PRO 27 HA PRO 27 -5.074 -12.933 -4.602 215 1HB PRO 27 1HB PRO 27 -2.637 -13.347 -3.369 216 2HB PRO 27 2HB PRO 27 -2.793 -12.948 -5.089 217 1HG PRO 27 1HG PRO 27 -1.750 -11.279 -2.896 218 2HG PRO 27 2HG PRO 27 -1.626 -11.020 -4.642 219 1HD PRO 27 1HD PRO 27 -3.472 -9.819 -2.744 220 2HD PRO 27 2HD PRO 27 -3.242 -9.373 -4.436 221 H ALA 28 H ALA 28 -3.949 -14.445 -2.457 222 HA ALA 28 HA ALA 28 -4.725 -15.261 -0.369 223 1HB ALA 28 1HB ALA 28 -3.189 -13.059 0.015 224 2HB ALA 28 2HB ALA 28 -4.696 -12.499 0.738 225 3HB ALA 28 3HB ALA 28 -3.917 -13.960 1.344 226 H GLY 29 H GLY 29 -6.289 -14.166 1.611 227 1HA GLY 29 1HA GLY 29 -8.783 -14.500 1.669 228 2HA GLY 29 2HA GLY 29 -8.838 -13.567 0.168 229 H GLU 30 H GLU 30 -7.048 -13.006 3.191 230 HA GLU 30 HA GLU 30 -8.362 -10.322 3.347 231 1HB GLU 30 1HB GLU 30 -8.591 -12.380 5.214 232 2HB GLU 30 2HB GLU 30 -7.333 -11.344 5.888 233 1HG GLU 30 1HG GLU 30 -8.774 -9.607 6.245 234 2HG GLU 30 2HG GLU 30 -9.685 -9.929 4.771 235 H GLN 31 H GLN 31 -5.488 -12.285 3.923 236 HA GLN 31 HA GLN 31 -3.648 -10.331 3.047 237 1HB GLN 31 1HB GLN 31 -4.291 -9.051 5.057 238 2HB GLN 31 2HB GLN 31 -3.989 -10.453 6.069 239 1HG GLN 31 1HG GLN 31 -1.619 -9.772 4.486 240 2HG GLN 31 2HG GLN 31 -2.202 -8.437 5.467 241 2HE2 GLN 31 2HE2 GLN 31 -1.351 -11.906 5.754 242 1HE2 GLN 31 1HE2 GLN 31 -0.930 -11.822 7.393 243 H ARG 32 H ARG 32 -2.105 -11.615 2.359 244 HA ARG 32 HA ARG 32 -1.742 -14.312 3.204 245 1HB ARG 32 1HB ARG 32 -0.644 -12.325 1.319 246 2HB ARG 32 2HB ARG 32 0.514 -13.518 1.842 247 1HG ARG 32 1HG ARG 32 -0.579 -15.242 0.757 248 2HG ARG 32 2HG ARG 32 -2.166 -14.506 0.995 249 1HD ARG 32 1HD ARG 32 -1.632 -14.358 -1.372 250 2HD ARG 32 2HD ARG 32 -1.514 -12.727 -0.694 251 HE ARG 32 HE ARG 32 0.997 -13.157 -0.594 252 1HH1 ARG 32 1HH1 ARG 32 1.830 -12.678 -2.855 253 2HH1 ARG 32 2HH1 ARG 32 1.790 -14.043 -3.922 254 1HH2 ARG 32 1HH2 ARG 32 -0.320 -15.902 -1.891 255 2HH2 ARG 32 2HH2 ARG 32 0.573 -15.868 -3.375 256 H LYS 33 H LYS 33 0.127 -11.324 3.635 257 HA LYS 33 HA LYS 33 0.867 -11.723 6.323 258 1HB LYS 33 1HB LYS 33 2.109 -13.703 5.400 259 2HB LYS 33 2HB LYS 33 3.040 -12.599 4.387 260 1HG LYS 33 1HG LYS 33 2.950 -11.833 7.231 261 2HG LYS 33 2HG LYS 33 3.762 -13.369 6.925 262 1HD LYS 33 1HD LYS 33 4.762 -11.794 4.907 263 2HD LYS 33 2HD LYS 33 4.593 -10.630 6.221 264 1HE LYS 33 1HE LYS 33 6.372 -11.501 7.296 265 2HE LYS 33 2HE LYS 33 5.679 -13.121 7.218 266 1HZ LYS 33 1HZ LYS 33 6.453 -13.144 4.835 267 2HZ LYS 33 2HZ LYS 33 7.364 -11.757 5.204 268 3HZ LYS 33 3HZ LYS 33 7.671 -13.219 6.013 269 H ASP 34 H ASP 34 0.344 -9.369 5.983 270 HA ASP 34 HA ASP 34 0.984 -7.129 5.438 271 1HB ASP 34 1HB ASP 34 3.257 -8.494 6.546 272 2HB ASP 34 2HB ASP 34 3.834 -7.537 5.178 273 H VAL 35 H VAL 35 0.416 -9.128 3.375 274 HA VAL 35 HA VAL 35 2.344 -8.647 1.240 275 HB VAL 35 HB VAL 35 -0.294 -10.154 1.323 276 1HG1 VAL 35 1HG1 VAL 35 2.476 -10.707 1.932 277 2HG1 VAL 35 2HG1 VAL 35 1.066 -11.735 2.149 278 3HG1 VAL 35 3HG1 VAL 35 1.932 -11.735 0.611 279 1HG2 VAL 35 1HG2 VAL 35 0.988 -8.993 -0.937 280 2HG2 VAL 35 2HG2 VAL 35 1.320 -10.728 -0.972 281 3HG2 VAL 35 3HG2 VAL 35 -0.343 -10.151 -0.902 282 H TYR 36 H TYR 36 -0.663 -7.227 2.322 283 HA TYR 36 HA TYR 36 -1.155 -5.897 -0.227 284 1HB TYR 36 1HB TYR 36 -2.276 -5.662 2.565 285 2HB TYR 36 2HB TYR 36 -2.781 -4.632 1.245 286 HD1 TYR 36 HD1 TYR 36 -3.396 -5.893 -0.989 287 HD2 TYR 36 HD2 TYR 36 -3.345 -7.638 2.914 288 HE1 TYR 36 HE1 TYR 36 -4.922 -7.672 -1.765 289 HE2 TYR 36 HE2 TYR 36 -4.850 -9.417 2.163 290 HH TYR 36 HH TYR 36 -6.117 -9.471 -1.185 291 H VAL 37 H VAL 37 0.296 -5.269 2.882 292 HA VAL 37 HA VAL 37 0.759 -2.458 2.438 293 HB VAL 37 HB VAL 37 1.951 -4.513 4.349 294 1HG1 VAL 37 1HG1 VAL 37 -0.543 -3.684 4.409 295 2HG1 VAL 37 2HG1 VAL 37 0.392 -3.716 5.908 296 3HG1 VAL 37 3HG1 VAL 37 0.157 -2.194 5.051 297 1HG2 VAL 37 1HG2 VAL 37 3.004 -1.969 3.642 298 2HG2 VAL 37 2HG2 VAL 37 2.222 -1.760 5.209 299 3HG2 VAL 37 3HG2 VAL 37 3.480 -2.980 5.006 300 H GLN 38 H GLN 38 2.874 -5.352 2.335 301 HA GLN 38 HA GLN 38 5.132 -3.992 1.226 302 1HB GLN 38 1HB GLN 38 4.885 -6.409 2.275 303 2HB GLN 38 2HB GLN 38 4.497 -6.887 0.629 304 1HG GLN 38 1HG GLN 38 6.696 -5.642 -0.006 305 2HG GLN 38 2HG GLN 38 7.070 -5.768 1.715 306 2HE2 GLN 38 2HE2 GLN 38 5.880 -7.887 -0.963 307 1HE2 GLN 38 1HE2 GLN 38 6.767 -9.250 -0.467 308 H LEU 39 H LEU 39 2.555 -5.955 -0.243 309 HA LEU 39 HA LEU 39 3.182 -5.858 -2.963 310 1HB LEU 39 1HB LEU 39 0.570 -5.758 -1.504 311 2HB LEU 39 2HB LEU 39 0.522 -5.266 -3.180 312 HG LEU 39 HG LEU 39 1.885 -7.825 -2.425 313 1HD1 LEU 39 1HD1 LEU 39 -0.509 -7.777 -1.575 314 2HD1 LEU 39 2HD1 LEU 39 -1.020 -7.487 -3.235 315 3HD1 LEU 39 3HD1 LEU 39 -0.206 -8.994 -2.817 316 1HD2 LEU 39 1HD2 LEU 39 0.817 -6.439 -4.871 317 2HD2 LEU 39 2HD2 LEU 39 2.372 -7.248 -4.640 318 3HD2 LEU 39 3HD2 LEU 39 0.904 -8.204 -4.850 319 H TYR 40 H TYR 40 1.377 -3.390 -1.187 320 HA TYR 40 HA TYR 40 1.114 -1.431 -3.103 321 1HB TYR 40 1HB TYR 40 0.139 -0.578 -1.280 322 2HB TYR 40 2HB TYR 40 0.988 -1.713 -0.259 323 HD1 TYR 40 HD1 TYR 40 2.016 -0.729 1.521 324 HD2 TYR 40 HD2 TYR 40 2.077 1.309 -2.251 325 HE1 TYR 40 HE1 TYR 40 3.366 1.089 2.520 326 HE2 TYR 40 HE2 TYR 40 3.421 3.134 -1.244 327 HH TYR 40 HH TYR 40 5.111 3.190 0.929 328 H LEU 41 H LEU 41 3.936 -1.741 -0.874 329 HA LEU 41 HA LEU 41 5.319 0.446 -2.106 330 1HB LEU 41 1HB LEU 41 6.615 -1.904 -0.700 331 2HB LEU 41 2HB LEU 41 7.258 -0.271 -0.867 332 HG LEU 41 HG LEU 41 4.583 -0.594 0.435 333 1HD1 LEU 41 1HD1 LEU 41 6.958 -1.943 1.343 334 2HD1 LEU 41 2HD1 LEU 41 6.547 -0.660 2.481 335 3HD1 LEU 41 3HD1 LEU 41 5.362 -1.906 2.091 336 1HD2 LEU 41 1HD2 LEU 41 5.610 1.643 0.000 337 2HD2 LEU 41 2HD2 LEU 41 5.360 1.343 1.724 338 3HD2 LEU 41 3HD2 LEU 41 6.975 1.182 1.020 339 H GLN 42 H GLN 42 4.989 -2.898 -3.028 340 HA GLN 42 HA GLN 42 7.324 -3.045 -4.705 341 1HB GLN 42 1HB GLN 42 5.714 -4.920 -3.753 342 2HB GLN 42 2HB GLN 42 4.871 -4.672 -5.275 343 1HG GLN 42 1HG GLN 42 7.165 -4.954 -6.410 344 2HG GLN 42 2HG GLN 42 7.724 -5.584 -4.856 345 2HE2 GLN 42 2HE2 GLN 42 5.416 -6.176 -7.514 346 1HE2 GLN 42 1HE2 GLN 42 5.148 -7.808 -7.136 347 H HIS 43 H HIS 43 3.870 -2.778 -5.649 348 HA HIS 43 HA HIS 43 4.673 -1.965 -8.368 349 1HB HIS 43 1HB HIS 43 1.840 -1.923 -7.401 350 2HB HIS 43 2HB HIS 43 2.473 -2.416 -8.981 351 HD1 HIS 43 HD1 HIS 43 3.241 -4.875 -9.226 352 HD2 HIS 43 HD2 HIS 43 2.034 -3.870 -5.373 353 HE1 HIS 43 HE1 HIS 43 3.081 -7.055 -7.943 354 H LEU 44 H LEU 44 3.110 -0.610 -5.527 355 HA LEU 44 HA LEU 44 2.701 1.957 -6.926 356 1HB LEU 44 1HB LEU 44 2.051 1.162 -4.082 357 2HB LEU 44 2HB LEU 44 1.552 2.643 -4.875 358 HG LEU 44 HG LEU 44 0.282 -0.020 -4.945 359 1HD1 LEU 44 1HD1 LEU 44 -0.411 2.648 -4.811 360 2HD1 LEU 44 2HD1 LEU 44 -0.885 2.235 -6.449 361 3HD1 LEU 44 3HD1 LEU 44 -1.543 1.320 -5.099 362 1HD2 LEU 44 1HD2 LEU 44 1.330 1.050 -7.528 363 2HD2 LEU 44 2HD2 LEU 44 0.743 -0.560 -7.126 364 3HD2 LEU 44 3HD2 LEU 44 -0.394 0.729 -7.484 365 H THR 45 H THR 45 5.109 0.467 -4.997 366 HA THR 45 HA THR 45 6.960 1.385 -3.837 367 HB THR 45 HB THR 45 7.588 3.475 -5.587 368 HG1 THR 45 HG1 THR 45 6.050 3.045 -7.031 369 1HG2 THR 45 1HG2 THR 45 8.214 0.511 -5.560 370 2HG2 THR 45 2HG2 THR 45 9.044 1.656 -6.619 371 3HG2 THR 45 3HG2 THR 45 9.183 1.812 -4.866 372 H ALA 46 H ALA 46 4.316 2.797 -3.181 373 HA ALA 46 HA ALA 46 3.645 4.806 -2.151 374 1HB ALA 46 1HB ALA 46 4.832 4.580 -0.228 375 2HB ALA 46 2HB ALA 46 5.972 5.724 -0.927 376 3HB ALA 46 3HB ALA 46 6.259 3.989 -1.075 377 H ARG 47 H ARG 47 3.917 5.279 -4.608 378 HA ARG 47 HA ARG 47 5.309 6.660 -6.228 379 1HB ARG 47 1HB ARG 47 3.368 8.619 -5.631 380 2HB ARG 47 2HB ARG 47 3.265 7.397 -6.861 381 1HG ARG 47 1HG ARG 47 2.657 6.595 -4.009 382 2HG ARG 47 2HG ARG 47 1.468 7.574 -4.851 383 1HD ARG 47 1HD ARG 47 2.637 4.974 -5.930 384 2HD ARG 47 2HD ARG 47 1.100 5.087 -5.084 385 HE ARG 47 HE ARG 47 0.586 6.823 -7.030 386 1HH1 ARG 47 1HH1 ARG 47 1.745 3.613 -7.009 387 2HH1 ARG 47 2HH1 ARG 47 1.687 3.421 -8.730 388 1HH2 ARG 47 1HH2 ARG 47 0.794 6.717 -9.332 389 2HH2 ARG 47 2HH2 ARG 47 1.148 5.179 -10.045 390 H ASN 48 H ASN 48 3.963 9.166 -4.034 391 HA ASN 48 HA ASN 48 6.678 10.403 -4.102 392 1HB ASN 48 1HB ASN 48 4.892 12.299 -3.085 393 2HB ASN 48 2HB ASN 48 5.511 12.230 -4.733 394 2HD2 ASN 48 2HD2 ASN 48 4.232 10.416 -6.101 395 1HD2 ASN 48 1HD2 ASN 48 2.563 10.522 -5.935 396 H ARG 49 H ARG 49 5.090 8.501 -1.965 397 HA ARG 49 HA ARG 49 5.245 8.270 0.382 398 1HB ARG 49 1HB ARG 49 7.661 9.763 -0.469 399 2HB ARG 49 2HB ARG 49 7.267 9.797 1.248 400 1HG ARG 49 1HG ARG 49 7.445 7.445 1.443 401 2HG ARG 49 2HG ARG 49 7.231 7.203 -0.294 402 1HD ARG 49 1HD ARG 49 9.578 6.826 0.292 403 2HD ARG 49 2HD ARG 49 9.454 8.302 -0.668 404 HE ARG 49 HE ARG 49 9.273 9.058 2.054 405 1HH1 ARG 49 1HH1 ARG 49 11.176 8.547 3.462 406 2HH1 ARG 49 2HH1 ARG 49 12.718 8.715 2.692 407 1HH2 ARG 49 1HH2 ARG 49 11.400 8.871 -0.510 408 2HH2 ARG 49 2HH2 ARG 49 12.845 8.898 0.444 409 HA PRO 50 HA PRO 50 3.459 11.820 2.182 410 1HB PRO 50 1HB PRO 50 4.048 11.475 4.839 411 2HB PRO 50 2HB PRO 50 2.837 10.515 3.978 412 1HG PRO 50 1HG PRO 50 5.582 9.747 4.855 413 2HG PRO 50 2HG PRO 50 4.172 8.718 4.569 414 1HD PRO 50 1HD PRO 50 6.376 9.093 2.811 415 2HD PRO 50 2HD PRO 50 4.849 8.275 2.419 416 HA PRO 51 HA PRO 51 6.911 14.673 2.451 417 1HB PRO 51 1HB PRO 51 5.373 16.952 2.328 418 2HB PRO 51 2HB PRO 51 5.817 15.992 0.908 419 1HG PRO 51 1HG PRO 51 3.196 16.153 2.338 420 2HG PRO 51 2HG PRO 51 3.523 15.785 0.637 421 1HD PRO 51 1HD PRO 51 2.904 13.896 2.651 422 2HD PRO 51 2HD PRO 51 3.581 13.527 1.049 423 H LEU 52 H LEU 52 7.472 14.241 4.690 424 HA LEU 52 HA LEU 52 5.976 15.895 6.685 425 1HB LEU 52 1HB LEU 52 7.348 13.234 6.856 426 2HB LEU 52 2HB LEU 52 7.307 14.255 8.293 427 HG LEU 52 HG LEU 52 5.371 12.794 8.339 428 1HD1 LEU 52 1HD1 LEU 52 5.352 12.357 5.867 429 2HD1 LEU 52 2HD1 LEU 52 3.753 12.731 6.514 430 3HD1 LEU 52 3HD1 LEU 52 4.654 13.961 5.630 431 1HD2 LEU 52 1HD2 LEU 52 5.193 15.339 8.875 432 2HD2 LEU 52 2HD2 LEU 52 4.285 15.437 7.366 433 3HD2 LEU 52 3HD2 LEU 52 3.696 14.424 8.684 434 HA PRO 53 HA PRO 53 10.111 17.834 6.361 435 1HB PRO 53 1HB PRO 53 9.135 20.404 6.427 436 2HB PRO 53 2HB PRO 53 9.329 19.470 4.933 437 1HG PRO 53 1HG PRO 53 6.832 20.132 6.437 438 2HG PRO 53 2HG PRO 53 7.043 19.797 4.712 439 1HD PRO 53 1HD PRO 53 6.043 17.985 6.653 440 2HD PRO 53 2HD PRO 53 6.566 17.569 5.008 441 H ALA 54 H ALA 54 10.486 20.168 7.837 442 HA ALA 54 HA ALA 54 9.278 20.404 10.341 443 1HB ALA 54 1HB ALA 54 10.626 17.890 10.025 444 2HB ALA 54 2HB ALA 54 11.469 18.839 11.255 445 3HB ALA 54 3HB ALA 54 9.746 18.493 11.433 446 H GLY 55 H GLY 55 11.095 21.057 12.096 447 1HA GLY 55 1HA GLY 55 12.339 23.385 11.368 448 2HA GLY 55 2HA GLY 55 13.528 22.168 10.902 449 H THR 56 H THR 56 12.475 20.449 13.207 450 HA THR 56 HA THR 56 13.552 22.012 15.503 451 HB THR 56 HB THR 56 12.458 20.447 16.930 452 HG1 THR 56 HG1 THR 56 11.354 18.647 15.532 453 1HG2 THR 56 1HG2 THR 56 10.924 22.000 15.754 454 2HG2 THR 56 2HG2 THR 56 10.712 20.806 14.474 455 3HG2 THR 56 3HG2 THR 56 10.138 20.461 16.105 No H/Q in entry = 455 Start of MODEL 8 1 H2 PRO 1 H2 PRO 1 -2.551 12.087 -10.524 2 H3 PRO 1 H3 PRO 1 -1.363 11.083 -9.838 3 HA PRO 1 HA PRO 1 -3.841 11.820 -8.754 4 1HB PRO 1 1HB PRO 1 -3.947 8.975 -8.433 5 2HB PRO 1 2HB PRO 1 -5.154 10.034 -9.151 6 1HG PRO 1 1HG PRO 1 -3.430 8.180 -10.461 7 2HG PRO 1 2HG PRO 1 -4.672 9.221 -11.166 8 1HD PRO 1 1HD PRO 1 -1.794 9.492 -11.288 9 2HD PRO 1 2HD PRO 1 -2.985 10.548 -12.050 10 H GLU 2 H GLU 2 -3.832 9.765 -6.732 11 HA GLU 2 HA GLU 2 -1.062 9.624 -5.726 12 1HB GLU 2 1HB GLU 2 -1.843 10.682 -3.521 13 2HB GLU 2 2HB GLU 2 -1.593 11.787 -4.874 14 1HG GLU 2 1HG GLU 2 -3.760 12.404 -4.846 15 2HG GLU 2 2HG GLU 2 -4.288 10.722 -4.918 16 H PHE 3 H PHE 3 -0.914 8.237 -3.827 17 HA PHE 3 HA PHE 3 -3.332 6.670 -3.129 18 1HB PHE 3 1HB PHE 3 -2.645 5.143 -4.759 19 2HB PHE 3 2HB PHE 3 -0.993 5.763 -4.743 20 HD1 PHE 3 HD1 PHE 3 -3.138 3.124 -3.546 21 HD2 PHE 3 HD2 PHE 3 0.499 5.261 -2.888 22 HE1 PHE 3 HE1 PHE 3 -2.291 1.253 -2.209 23 HE2 PHE 3 HE2 PHE 3 1.367 3.395 -1.604 24 HZ PHE 3 HZ PHE 3 -0.024 1.338 -1.275 25 H LEU 4 H LEU 4 -2.376 4.906 -1.376 26 HA LEU 4 HA LEU 4 -1.395 6.517 0.792 27 1HB LEU 4 1HB LEU 4 -1.132 3.515 0.716 28 2HB LEU 4 2HB LEU 4 -1.363 4.552 2.110 29 HG LEU 4 HG LEU 4 -3.478 4.745 0.059 30 1HD1 LEU 4 1HD1 LEU 4 -2.552 2.179 1.216 31 2HD1 LEU 4 2HD1 LEU 4 -4.290 2.466 1.272 32 3HD1 LEU 4 3HD1 LEU 4 -3.449 2.477 -0.276 33 1HD2 LEU 4 1HD2 LEU 4 -3.085 5.252 2.802 34 2HD2 LEU 4 2HD2 LEU 4 -4.564 5.489 1.873 35 3HD2 LEU 4 3HD2 LEU 4 -4.280 3.966 2.709 36 H GLU 5 H GLU 5 0.560 7.473 -0.064 37 HA GLU 5 HA GLU 5 2.760 5.853 -0.952 38 1HB GLU 5 1HB GLU 5 2.738 8.641 0.246 39 2HB GLU 5 2HB GLU 5 4.120 7.899 -0.560 40 1HG GLU 5 1HG GLU 5 2.983 7.857 -2.680 41 2HG GLU 5 2HG GLU 5 1.432 8.201 -1.942 42 H ASP 6 H ASP 6 1.267 6.304 2.019 43 HA ASP 6 HA ASP 6 3.284 4.686 3.394 44 1HB ASP 6 1HB ASP 6 2.975 7.571 3.859 45 2HB ASP 6 2HB ASP 6 2.697 6.619 5.319 46 HA PRO 7 HA PRO 7 -1.136 3.774 4.265 47 1HB PRO 7 1HB PRO 7 -0.858 1.057 3.943 48 2HB PRO 7 2HB PRO 7 -1.239 2.166 2.619 49 1HG PRO 7 1HG PRO 7 1.320 0.796 3.244 50 2HG PRO 7 2HG PRO 7 0.701 1.385 1.695 51 1HD PRO 7 1HD PRO 7 2.677 2.656 3.287 52 2HD PRO 7 2HD PRO 7 1.816 3.389 1.917 53 H SER 8 H SER 8 0.924 4.206 6.313 54 HA SER 8 HA SER 8 0.947 1.835 8.025 55 1HB SER 8 1HB SER 8 2.858 3.041 8.464 56 2HB SER 8 2HB SER 8 2.083 4.589 8.124 57 HG SER 8 HG SER 8 1.973 4.742 10.207 58 H VAL 9 H VAL 9 -1.359 4.148 7.313 59 HA VAL 9 HA VAL 9 -2.503 4.101 10.061 60 HB VAL 9 HB VAL 9 -3.905 5.934 9.374 61 1HG1 VAL 9 1HG1 VAL 9 -4.300 4.940 7.065 62 2HG1 VAL 9 2HG1 VAL 9 -4.086 6.690 7.107 63 3HG1 VAL 9 3HG1 VAL 9 -2.759 5.651 6.589 64 1HG2 VAL 9 1HG2 VAL 9 -1.050 6.164 8.392 65 2HG2 VAL 9 2HG2 VAL 9 -2.142 7.546 8.489 66 3HG2 VAL 9 3HG2 VAL 9 -1.698 6.669 9.953 67 H LEU 10 H LEU 10 -2.728 2.448 7.138 68 HA LEU 10 HA LEU 10 -5.552 1.638 7.742 69 1HB LEU 10 1HB LEU 10 -5.193 0.648 5.258 70 2HB LEU 10 2HB LEU 10 -5.770 2.308 5.504 71 HG LEU 10 HG LEU 10 -2.822 1.678 5.387 72 1HD1 LEU 10 1HD1 LEU 10 -4.651 2.225 3.072 73 2HD1 LEU 10 2HD1 LEU 10 -2.914 2.315 2.977 74 3HD1 LEU 10 3HD1 LEU 10 -3.699 0.781 3.320 75 1HD2 LEU 10 1HD2 LEU 10 -4.571 4.071 5.361 76 2HD2 LEU 10 2HD2 LEU 10 -2.948 3.876 6.018 77 3HD2 LEU 10 3HD2 LEU 10 -3.175 4.125 4.291 78 H THR 11 H THR 11 -5.858 -0.269 8.329 79 HA THR 11 HA THR 11 -4.063 -2.244 9.100 80 HB THR 11 HB THR 11 -6.377 -2.482 9.645 81 HG1 THR 11 HG1 THR 11 -6.569 -4.525 9.170 82 1HG2 THR 11 1HG2 THR 11 -6.721 -2.074 6.668 83 2HG2 THR 11 2HG2 THR 11 -8.047 -2.687 7.672 84 3HG2 THR 11 3HG2 THR 11 -7.370 -1.078 7.980 85 H LYS 12 H LYS 12 -4.179 -4.524 7.859 86 HA LYS 12 HA LYS 12 -2.975 -4.054 5.227 87 1HB LYS 12 1HB LYS 12 -3.028 -6.198 7.157 88 2HB LYS 12 2HB LYS 12 -3.462 -6.819 5.570 89 1HG LYS 12 1HG LYS 12 -1.110 -6.985 5.541 90 2HG LYS 12 2HG LYS 12 -1.400 -5.439 4.730 91 1HD LYS 12 1HD LYS 12 0.370 -5.185 6.408 92 2HD LYS 12 2HD LYS 12 -1.045 -4.238 6.858 93 1HE LYS 12 1HE LYS 12 -1.614 -6.589 8.108 94 2HE LYS 12 2HE LYS 12 0.145 -6.609 8.178 95 1HZ LYS 12 1HZ LYS 12 -0.082 -4.223 8.989 96 2HZ LYS 12 2HZ LYS 12 -1.717 -4.592 9.268 97 3HZ LYS 12 3HZ LYS 12 -0.499 -5.457 10.075 98 H ASP 13 H ASP 13 -6.063 -4.056 6.313 99 HA ASP 13 HA ASP 13 -7.251 -5.603 4.099 100 1HB ASP 13 1HB ASP 13 -7.951 -5.403 6.721 101 2HB ASP 13 2HB ASP 13 -9.037 -4.217 5.991 102 H LYS 14 H LYS 14 -6.647 -2.249 4.904 103 HA LYS 14 HA LYS 14 -8.781 -1.360 3.057 104 1HB LYS 14 1HB LYS 14 -8.170 -0.211 5.235 105 2HB LYS 14 2HB LYS 14 -6.716 0.321 4.415 106 1HG LYS 14 1HG LYS 14 -9.572 0.990 3.700 107 2HG LYS 14 2HG LYS 14 -8.299 2.084 4.236 108 1HD LYS 14 1HD LYS 14 -8.328 0.573 1.613 109 2HD LYS 14 2HD LYS 14 -8.608 2.294 1.801 110 1HE LYS 14 1HE LYS 14 -6.086 1.154 2.949 111 2HE LYS 14 2HE LYS 14 -6.202 1.418 1.195 112 1HZ LYS 14 1HZ LYS 14 -7.312 3.669 2.229 113 2HZ LYS 14 2HZ LYS 14 -6.034 3.367 3.303 114 3HZ LYS 14 3HZ LYS 14 -5.729 3.540 1.640 115 H LEU 15 H LEU 15 -5.295 -0.838 3.450 116 HA LEU 15 HA LEU 15 -4.578 0.374 1.117 117 1HB LEU 15 1HB LEU 15 -2.712 -1.739 1.223 118 2HB LEU 15 2HB LEU 15 -2.532 -0.114 1.921 119 HG LEU 15 HG LEU 15 -3.562 -0.895 4.010 120 1HD1 LEU 15 1HD1 LEU 15 -4.535 -2.979 2.353 121 2HD1 LEU 15 2HD1 LEU 15 -3.436 -3.725 3.515 122 3HD1 LEU 15 3HD1 LEU 15 -4.826 -2.760 4.092 123 1HD2 LEU 15 1HD2 LEU 15 -1.064 -1.301 3.309 124 2HD2 LEU 15 2HD2 LEU 15 -1.685 -2.077 4.767 125 3HD2 LEU 15 3HD2 LEU 15 -1.547 -2.999 3.267 126 H LYS 16 H LYS 16 -5.890 -2.861 1.352 127 HA LYS 16 HA LYS 16 -5.132 -3.542 -1.351 128 1HB LYS 16 1HB LYS 16 -7.304 -4.918 0.219 129 2HB LYS 16 2HB LYS 16 -6.135 -5.581 -0.883 130 1HG LYS 16 1HG LYS 16 -4.347 -5.133 0.743 131 2HG LYS 16 2HG LYS 16 -5.577 -4.600 1.876 132 1HD LYS 16 1HD LYS 16 -5.781 -7.259 0.512 133 2HD LYS 16 2HD LYS 16 -4.867 -7.078 2.008 134 1HE LYS 16 1HE LYS 16 -6.752 -7.069 3.207 135 2HE LYS 16 2HE LYS 16 -7.431 -5.777 2.220 136 1HZ LYS 16 1HZ LYS 16 -7.339 -8.513 1.155 137 2HZ LYS 16 2HZ LYS 16 -8.557 -8.095 2.263 138 3HZ LYS 16 3HZ LYS 16 -8.421 -7.254 0.796 139 H SER 17 H SER 17 -8.181 -2.801 0.342 140 HA SER 17 HA SER 17 -9.965 -2.772 -1.787 141 1HB SER 17 1HB SER 17 -9.770 -1.394 0.767 142 2HB SER 17 2HB SER 17 -10.615 -0.436 -0.440 143 HG SER 17 HG SER 17 -11.185 -3.164 0.008 144 H GLU 18 H GLU 18 -7.336 -0.634 -1.092 145 HA GLU 18 HA GLU 18 -8.081 1.358 -3.107 146 1HB GLU 18 1HB GLU 18 -5.671 0.930 -1.348 147 2HB GLU 18 2HB GLU 18 -5.774 2.280 -2.465 148 1HG GLU 18 1HG GLU 18 -7.876 1.656 -0.342 149 2HG GLU 18 2HG GLU 18 -6.549 2.761 -0.043 150 H LEU 19 H LEU 19 -5.208 -0.769 -2.679 151 HA LEU 19 HA LEU 19 -3.920 -0.574 -5.049 152 1HB LEU 19 1HB LEU 19 -4.574 -2.975 -3.394 153 2HB LEU 19 2HB LEU 19 -3.753 -3.195 -4.914 154 HG LEU 19 HG LEU 19 -2.622 -0.990 -3.360 155 1HD1 LEU 19 1HD1 LEU 19 -1.901 -2.553 -5.405 156 2HD1 LEU 19 2HD1 LEU 19 -0.710 -1.827 -4.324 157 3HD1 LEU 19 3HD1 LEU 19 -1.208 -3.509 -4.095 158 1HD2 LEU 19 1HD2 LEU 19 -3.173 -3.608 -2.103 159 2HD2 LEU 19 2HD2 LEU 19 -1.480 -3.128 -2.034 160 3HD2 LEU 19 3HD2 LEU 19 -2.719 -2.081 -1.341 161 H VAL 20 H VAL 20 -7.046 -2.184 -4.631 162 HA VAL 20 HA VAL 20 -7.230 -3.314 -7.247 163 HB VAL 20 HB VAL 20 -9.303 -2.373 -5.254 164 1HG1 VAL 20 1HG1 VAL 20 -7.908 -4.459 -4.877 165 2HG1 VAL 20 2HG1 VAL 20 -9.650 -4.726 -4.907 166 3HG1 VAL 20 3HG1 VAL 20 -8.671 -5.139 -6.314 167 1HG2 VAL 20 1HG2 VAL 20 -9.625 -3.153 -8.104 168 2HG2 VAL 20 2HG2 VAL 20 -10.732 -3.915 -6.962 169 3HG2 VAL 20 3HG2 VAL 20 -10.665 -2.157 -7.086 170 H ALA 21 H ALA 21 -8.574 -0.237 -6.007 171 HA ALA 21 HA ALA 21 -9.465 0.780 -8.502 172 1HB ALA 21 1HB ALA 21 -9.221 3.031 -7.358 173 2HB ALA 21 2HB ALA 21 -10.166 1.844 -6.458 174 3HB ALA 21 3HB ALA 21 -8.495 2.176 -5.993 175 H ASN 22 H ASN 22 -6.339 1.208 -6.861 176 HA ASN 22 HA ASN 22 -5.257 2.854 -8.951 177 1HB ASN 22 1HB ASN 22 -3.417 1.482 -6.985 178 2HB ASN 22 2HB ASN 22 -3.487 3.137 -7.517 179 2HD2 ASN 22 2HD2 ASN 22 -4.597 1.074 -4.981 180 1HD2 ASN 22 1HD2 ASN 22 -5.589 2.205 -4.207 181 H ASN 23 H ASN 23 -6.166 0.098 -9.738 182 HA ASN 23 HA ASN 23 -5.494 -1.464 -11.332 183 1HB ASN 23 1HB ASN 23 -4.525 0.519 -12.438 184 2HB ASN 23 2HB ASN 23 -3.034 0.287 -11.525 185 2HD2 ASN 23 2HD2 ASN 23 -1.531 -0.556 -12.993 186 1HD2 ASN 23 1HD2 ASN 23 -1.835 -1.851 -14.051 187 H VAL 24 H VAL 24 -5.265 -2.845 -9.271 188 HA VAL 24 HA VAL 24 -2.711 -4.243 -9.455 189 HB VAL 24 HB VAL 24 -3.561 -3.148 -6.768 190 1HG1 VAL 24 1HG1 VAL 24 -1.527 -5.039 -7.773 191 2HG1 VAL 24 2HG1 VAL 24 -0.884 -3.817 -6.678 192 3HG1 VAL 24 3HG1 VAL 24 -2.192 -4.875 -6.149 193 1HG2 VAL 24 1HG2 VAL 24 -1.406 -2.183 -8.673 194 2HG2 VAL 24 2HG2 VAL 24 -2.833 -1.282 -8.162 195 3HG2 VAL 24 3HG2 VAL 24 -1.563 -1.657 -6.998 196 H THR 25 H THR 25 -3.327 -6.383 -9.437 197 HA THR 25 HA THR 25 -6.000 -7.127 -8.666 198 HB THR 25 HB THR 25 -4.490 -9.452 -8.728 199 HG1 THR 25 HG1 THR 25 -2.688 -8.390 -9.459 200 1HG2 THR 25 1HG2 THR 25 -5.975 -7.981 -10.912 201 2HG2 THR 25 2HG2 THR 25 -5.466 -9.666 -11.027 202 3HG2 THR 25 3HG2 THR 25 -6.640 -9.180 -9.803 203 H LEU 26 H LEU 26 -6.524 -8.675 -6.997 204 HA LEU 26 HA LEU 26 -4.758 -8.424 -4.595 205 1HB LEU 26 1HB LEU 26 -7.752 -8.851 -4.699 206 2HB LEU 26 2HB LEU 26 -6.805 -8.633 -3.249 207 HG LEU 26 HG LEU 26 -8.075 -6.688 -4.778 208 1HD1 LEU 26 1HD1 LEU 26 -5.107 -6.563 -5.073 209 2HD1 LEU 26 2HD1 LEU 26 -6.353 -6.274 -6.284 210 3HD1 LEU 26 3HD1 LEU 26 -6.065 -5.087 -5.012 211 1HD2 LEU 26 1HD2 LEU 26 -7.063 -6.994 -2.226 212 2HD2 LEU 26 2HD2 LEU 26 -6.183 -5.607 -2.882 213 3HD2 LEU 26 3HD2 LEU 26 -7.946 -5.595 -2.837 214 HA PRO 27 HA PRO 27 -4.625 -12.855 -5.278 215 1HB PRO 27 1HB PRO 27 -2.637 -13.308 -3.425 216 2HB PRO 27 2HB PRO 27 -2.336 -12.756 -5.081 217 1HG PRO 27 1HG PRO 27 -2.204 -11.234 -2.520 218 2HG PRO 27 2HG PRO 27 -1.369 -10.925 -4.050 219 1HD PRO 27 1HD PRO 27 -3.667 -9.573 -3.082 220 2HD PRO 27 2HD PRO 27 -3.003 -9.457 -4.721 221 H ALA 28 H ALA 28 -3.589 -12.725 -1.934 222 HA ALA 28 HA ALA 28 -5.574 -14.562 -1.048 223 1HB ALA 28 1HB ALA 28 -3.395 -13.060 0.125 224 2HB ALA 28 2HB ALA 28 -4.799 -13.041 1.196 225 3HB ALA 28 3HB ALA 28 -4.113 -14.578 0.666 226 H GLY 29 H GLY 29 -6.924 -13.716 1.084 227 1HA GLY 29 1HA GLY 29 -9.249 -12.783 0.975 228 2HA GLY 29 2HA GLY 29 -8.567 -11.448 0.041 229 H GLU 30 H GLU 30 -7.832 -13.037 3.175 230 HA GLU 30 HA GLU 30 -8.387 -10.637 4.686 231 1HB GLU 30 1HB GLU 30 -7.709 -13.367 5.243 232 2HB GLU 30 2HB GLU 30 -6.603 -12.324 6.137 233 1HG GLU 30 1HG GLU 30 -8.914 -11.010 6.598 234 2HG GLU 30 2HG GLU 30 -9.549 -12.644 6.407 235 H GLN 31 H GLN 31 -5.247 -12.305 4.743 236 HA GLN 31 HA GLN 31 -3.710 -10.287 3.506 237 1HB GLN 31 1HB GLN 31 -4.427 -8.819 5.329 238 2HB GLN 31 2HB GLN 31 -3.884 -9.999 6.515 239 1HG GLN 31 1HG GLN 31 -1.589 -9.731 5.209 240 2HG GLN 31 2HG GLN 31 -2.268 -8.170 4.794 241 2HE2 GLN 31 2HE2 GLN 31 -3.887 -8.398 7.486 242 1HE2 GLN 31 1HE2 GLN 31 -2.754 -7.977 8.674 243 H ARG 32 H ARG 32 -2.710 -12.224 2.817 244 HA ARG 32 HA ARG 32 -1.743 -14.413 3.929 245 1HB ARG 32 1HB ARG 32 -1.148 -12.794 1.756 246 2HB ARG 32 2HB ARG 32 0.394 -12.953 2.569 247 1HG ARG 32 1HG ARG 32 -0.108 -15.479 2.627 248 2HG ARG 32 2HG ARG 32 -1.397 -15.098 1.480 249 1HD ARG 32 1HD ARG 32 1.427 -14.150 0.992 250 2HD ARG 32 2HD ARG 32 0.936 -15.778 0.521 251 HE ARG 32 HE ARG 32 0.055 -13.278 -0.738 252 1HH1 ARG 32 1HH1 ARG 32 -0.790 -16.528 0.018 253 2HH1 ARG 32 2HH1 ARG 32 -1.630 -16.799 -1.472 254 1HH2 ARG 32 1HH2 ARG 32 -0.906 -13.662 -2.759 255 2HH2 ARG 32 2HH2 ARG 32 -1.696 -15.176 -3.043 256 H LYS 33 H LYS 33 0.255 -11.449 4.079 257 HA LYS 33 HA LYS 33 0.801 -11.543 6.857 258 1HB LYS 33 1HB LYS 33 2.163 -13.570 5.400 259 2HB LYS 33 2HB LYS 33 3.362 -12.340 5.802 260 1HG LYS 33 1HG LYS 33 1.416 -13.392 7.860 261 2HG LYS 33 2HG LYS 33 2.958 -14.189 7.551 262 1HD LYS 33 1HD LYS 33 4.192 -12.446 8.428 263 2HD LYS 33 2HD LYS 33 2.994 -11.233 7.975 264 1HE LYS 33 1HE LYS 33 2.005 -13.193 9.933 265 2HE LYS 33 2HE LYS 33 3.353 -12.221 10.525 266 1HZ LYS 33 1HZ LYS 33 2.041 -10.266 9.564 267 2HZ LYS 33 2HZ LYS 33 0.712 -11.325 9.556 268 3HZ LYS 33 3HZ LYS 33 1.495 -10.950 11.017 269 H ASP 34 H ASP 34 0.359 -9.295 5.998 270 HA ASP 34 HA ASP 34 1.250 -7.124 5.595 271 1HB ASP 34 1HB ASP 34 3.434 -8.628 6.578 272 2HB ASP 34 2HB ASP 34 4.025 -7.869 5.097 273 H VAL 35 H VAL 35 0.952 -9.577 3.527 274 HA VAL 35 HA VAL 35 2.510 -9.032 1.264 275 HB VAL 35 HB VAL 35 1.215 -11.005 1.177 276 1HG1 VAL 35 1HG1 VAL 35 -0.689 -9.336 2.552 277 2HG1 VAL 35 2HG1 VAL 35 -1.460 -10.269 1.271 278 3HG1 VAL 35 3HG1 VAL 35 -0.546 -11.094 2.529 279 1HG2 VAL 35 1HG2 VAL 35 0.861 -9.132 -0.836 280 2HG2 VAL 35 2HG2 VAL 35 0.300 -10.810 -0.911 281 3HG2 VAL 35 3HG2 VAL 35 -0.797 -9.536 -0.380 282 H TYR 36 H TYR 36 -0.489 -7.447 2.343 283 HA TYR 36 HA TYR 36 -0.742 -6.031 -0.167 284 1HB TYR 36 1HB TYR 36 -2.148 -5.866 2.475 285 2HB TYR 36 2HB TYR 36 -2.585 -4.924 1.066 286 HD1 TYR 36 HD1 TYR 36 -3.430 -6.029 -0.954 287 HD2 TYR 36 HD2 TYR 36 -2.410 -8.254 2.559 288 HE1 TYR 36 HE1 TYR 36 -4.652 -7.981 -1.854 289 HE2 TYR 36 HE2 TYR 36 -3.627 -10.211 1.673 290 HH TYR 36 HH TYR 36 -4.269 -10.853 -1.163 291 H VAL 37 H VAL 37 0.696 -5.443 2.934 292 HA VAL 37 HA VAL 37 0.907 -2.569 2.480 293 HB VAL 37 HB VAL 37 2.024 -4.508 4.534 294 1HG1 VAL 37 1HG1 VAL 37 -0.409 -3.693 4.557 295 2HG1 VAL 37 2HG1 VAL 37 0.525 -3.367 6.026 296 3HG1 VAL 37 3HG1 VAL 37 0.241 -2.076 4.864 297 1HG2 VAL 37 1HG2 VAL 37 3.737 -2.769 4.095 298 2HG2 VAL 37 2HG2 VAL 37 2.523 -1.513 4.336 299 3HG2 VAL 37 3HG2 VAL 37 3.001 -2.547 5.683 300 H GLN 38 H GLN 38 2.779 -5.472 1.945 301 HA GLN 38 HA GLN 38 5.231 -4.095 1.144 302 1HB GLN 38 1HB GLN 38 5.402 -6.342 2.120 303 2HB GLN 38 2HB GLN 38 4.279 -6.979 0.926 304 1HG GLN 38 1HG GLN 38 6.234 -7.560 -0.123 305 2HG GLN 38 2HG GLN 38 6.077 -5.921 -0.747 306 2HE2 GLN 38 2HE2 GLN 38 7.117 -7.129 2.488 307 1HE2 GLN 38 1HE2 GLN 38 8.618 -6.330 2.471 308 H LEU 39 H LEU 39 2.584 -5.887 -0.286 309 HA LEU 39 HA LEU 39 3.201 -5.750 -3.041 310 1HB LEU 39 1HB LEU 39 0.682 -5.965 -1.482 311 2HB LEU 39 2HB LEU 39 0.467 -5.355 -3.114 312 HG LEU 39 HG LEU 39 2.079 -7.837 -2.563 313 1HD1 LEU 39 1HD1 LEU 39 -0.449 -7.810 -1.802 314 2HD1 LEU 39 2HD1 LEU 39 -0.769 -7.851 -3.533 315 3HD1 LEU 39 3HD1 LEU 39 0.148 -9.154 -2.779 316 1HD2 LEU 39 1HD2 LEU 39 0.904 -6.369 -4.910 317 2HD2 LEU 39 2HD2 LEU 39 2.518 -7.071 -4.729 318 3HD2 LEU 39 3HD2 LEU 39 1.129 -8.119 -5.012 319 H TYR 40 H TYR 40 1.395 -3.411 -1.050 320 HA TYR 40 HA TYR 40 0.983 -1.428 -2.961 321 1HB TYR 40 1HB TYR 40 0.015 -0.561 -1.117 322 2HB TYR 40 2HB TYR 40 0.843 -1.743 -0.118 323 HD1 TYR 40 HD1 TYR 40 1.759 1.389 -1.997 324 HD2 TYR 40 HD2 TYR 40 2.145 -0.920 1.594 325 HE1 TYR 40 HE1 TYR 40 3.173 3.164 -1.009 326 HE2 TYR 40 HE2 TYR 40 3.575 0.853 2.579 327 HH TYR 40 HH TYR 40 3.659 3.712 1.876 328 H LEU 41 H LEU 41 3.748 -1.547 -0.620 329 HA LEU 41 HA LEU 41 5.117 0.596 -1.893 330 1HB LEU 41 1HB LEU 41 5.516 -0.870 0.381 331 2HB LEU 41 2HB LEU 41 6.807 -1.494 -0.641 332 HG LEU 41 HG LEU 41 7.340 1.012 -1.126 333 1HD1 LEU 41 1HD1 LEU 41 8.171 -0.835 0.859 334 2HD1 LEU 41 2HD1 LEU 41 9.085 0.521 0.200 335 3HD1 LEU 41 3HD1 LEU 41 8.088 0.745 1.637 336 1HD2 LEU 41 1HD2 LEU 41 5.486 1.182 1.270 337 2HD2 LEU 41 2HD2 LEU 41 6.765 2.370 1.020 338 3HD2 LEU 41 3HD2 LEU 41 5.498 2.179 -0.188 339 H GLN 42 H GLN 42 4.671 -2.643 -2.947 340 HA GLN 42 HA GLN 42 7.138 -2.810 -4.490 341 1HB GLN 42 1HB GLN 42 5.432 -4.681 -3.583 342 2HB GLN 42 2HB GLN 42 4.856 -4.543 -5.241 343 1HG GLN 42 1HG GLN 42 6.583 -6.226 -5.220 344 2HG GLN 42 2HG GLN 42 7.257 -4.792 -5.996 345 2HE2 GLN 42 2HE2 GLN 42 8.960 -3.651 -4.888 346 1HE2 GLN 42 1HE2 GLN 42 9.672 -4.235 -3.461 347 H HIS 43 H HIS 43 3.722 -2.767 -5.626 348 HA HIS 43 HA HIS 43 4.580 -1.865 -8.285 349 1HB HIS 43 1HB HIS 43 1.735 -1.791 -7.311 350 2HB HIS 43 2HB HIS 43 2.348 -2.177 -8.931 351 HD1 HIS 43 HD1 HIS 43 3.120 -4.605 -9.361 352 HD2 HIS 43 HD2 HIS 43 1.899 -3.891 -5.448 353 HE1 HIS 43 HE1 HIS 43 2.947 -6.875 -8.250 354 H LEU 44 H LEU 44 3.042 -0.540 -5.442 355 HA LEU 44 HA LEU 44 2.655 2.060 -6.766 356 1HB LEU 44 1HB LEU 44 2.122 1.258 -3.899 357 2HB LEU 44 2HB LEU 44 1.584 2.727 -4.689 358 HG LEU 44 HG LEU 44 0.350 0.023 -4.726 359 1HD1 LEU 44 1HD1 LEU 44 -0.376 2.557 -4.240 360 2HD1 LEU 44 2HD1 LEU 44 -0.916 2.434 -5.903 361 3HD1 LEU 44 3HD1 LEU 44 -1.526 1.303 -4.695 362 1HD2 LEU 44 1HD2 LEU 44 1.160 1.306 -7.307 363 2HD2 LEU 44 2HD2 LEU 44 0.662 -0.352 -6.989 364 3HD2 LEU 44 3HD2 LEU 44 -0.545 0.918 -7.157 365 H THR 45 H THR 45 5.031 0.495 -4.730 366 HA THR 45 HA THR 45 6.948 1.390 -3.677 367 HB THR 45 HB THR 45 7.654 3.426 -5.424 368 HG1 THR 45 HG1 THR 45 6.632 3.103 -7.220 369 1HG2 THR 45 1HG2 THR 45 8.069 0.428 -5.477 370 2HG2 THR 45 2HG2 THR 45 8.930 1.525 -6.559 371 3HG2 THR 45 3HG2 THR 45 9.156 1.651 -4.813 372 H ALA 46 H ALA 46 4.290 2.879 -3.102 373 HA ALA 46 HA ALA 46 3.652 4.894 -2.101 374 1HB ALA 46 1HB ALA 46 5.084 4.050 -0.289 375 2HB ALA 46 2HB ALA 46 5.326 5.789 -0.464 376 3HB ALA 46 3HB ALA 46 6.520 4.662 -1.106 377 H ARG 47 H ARG 47 4.057 5.322 -4.587 378 HA ARG 47 HA ARG 47 5.621 6.605 -6.139 379 1HB ARG 47 1HB ARG 47 3.700 8.662 -5.735 380 2HB ARG 47 2HB ARG 47 3.674 7.414 -6.953 381 1HG ARG 47 1HG ARG 47 2.804 6.777 -4.139 382 2HG ARG 47 2HG ARG 47 1.710 7.667 -5.174 383 1HD ARG 47 1HD ARG 47 2.245 4.859 -5.138 384 2HD ARG 47 2HD ARG 47 1.097 5.708 -6.158 385 HE ARG 47 HE ARG 47 3.940 5.584 -6.996 386 1HH1 ARG 47 1HH1 ARG 47 0.833 6.049 -8.054 387 2HH1 ARG 47 2HH1 ARG 47 0.910 4.941 -9.382 388 1HH2 ARG 47 1HH2 ARG 47 3.963 3.600 -8.432 389 2HH2 ARG 47 2HH2 ARG 47 2.682 3.554 -9.596 390 H ASN 48 H ASN 48 4.267 9.191 -4.061 391 HA ASN 48 HA ASN 48 6.966 10.416 -4.086 392 1HB ASN 48 1HB ASN 48 5.030 11.926 -2.520 393 2HB ASN 48 2HB ASN 48 5.866 12.382 -4.008 394 2HD2 ASN 48 2HD2 ASN 48 4.974 10.662 -5.883 395 1HD2 ASN 48 1HD2 ASN 48 3.303 10.775 -6.035 396 H ARG 49 H ARG 49 7.427 8.337 -2.678 397 HA ARG 49 HA ARG 49 6.783 7.823 -0.091 398 1HB ARG 49 1HB ARG 49 9.564 8.126 -1.214 399 2HB ARG 49 2HB ARG 49 9.275 7.624 0.445 400 1HG ARG 49 1HG ARG 49 8.213 5.624 -0.211 401 2HG ARG 49 2HG ARG 49 7.866 6.230 -1.831 402 1HD ARG 49 1HD ARG 49 9.726 4.560 -1.806 403 2HD ARG 49 2HD ARG 49 10.242 6.134 -2.411 404 HE ARG 49 HE ARG 49 10.663 5.727 0.468 405 1HH1 ARG 49 1HH1 ARG 49 11.955 4.363 -2.309 406 2HH1 ARG 49 2HH1 ARG 49 13.581 4.892 -2.028 407 1HH2 ARG 49 1HH2 ARG 49 12.739 6.916 0.660 408 2HH2 ARG 49 2HH2 ARG 49 14.025 6.337 -0.346 409 HA PRO 50 HA PRO 50 7.613 11.408 2.267 410 1HB PRO 50 1HB PRO 50 7.815 10.268 4.760 411 2HB PRO 50 2HB PRO 50 6.273 10.515 3.925 412 1HG PRO 50 1HG PRO 50 7.806 7.992 4.349 413 2HG PRO 50 2HG PRO 50 6.074 8.213 4.065 414 1HD PRO 50 1HD PRO 50 8.020 7.388 2.150 415 2HD PRO 50 2HD PRO 50 6.329 7.829 1.826 416 HA PRO 51 HA PRO 51 12.080 11.103 2.498 417 1HB PRO 51 1HB PRO 51 12.517 13.816 2.565 418 2HB PRO 51 2HB PRO 51 12.227 12.904 1.076 419 1HG PRO 51 1HG PRO 51 10.386 14.722 2.566 420 2HG PRO 51 2HG PRO 51 10.401 14.310 0.844 421 1HD PRO 51 1HD PRO 51 8.658 13.240 2.806 422 2HD PRO 51 2HD PRO 51 8.877 12.620 1.159 423 H LEU 52 H LEU 52 11.997 10.226 4.694 424 HA LEU 52 HA LEU 52 11.453 11.825 7.003 425 1HB LEU 52 1HB LEU 52 13.071 9.290 6.644 426 2HB LEU 52 2HB LEU 52 12.723 10.003 8.219 427 HG LEU 52 HG LEU 52 10.233 9.966 7.017 428 1HD1 LEU 52 1HD1 LEU 52 11.206 8.600 5.155 429 2HD1 LEU 52 2HD1 LEU 52 11.667 7.374 6.336 430 3HD1 LEU 52 3HD1 LEU 52 9.962 7.729 6.054 431 1HD2 LEU 52 1HD2 LEU 52 11.536 7.843 8.760 432 2HD2 LEU 52 2HD2 LEU 52 10.759 9.317 9.339 433 3HD2 LEU 52 3HD2 LEU 52 9.797 8.061 8.556 434 HA PRO 53 HA PRO 53 15.233 14.119 7.212 435 1HB PRO 53 1HB PRO 53 14.912 15.040 9.784 436 2HB PRO 53 2HB PRO 53 14.041 15.706 8.392 437 1HG PRO 53 1HG PRO 53 13.048 13.904 10.562 438 2HG PRO 53 2HG PRO 53 12.153 15.074 9.581 439 1HD PRO 53 1HD PRO 53 12.185 12.266 9.203 440 2HD PRO 53 2HD PRO 53 11.577 13.469 8.047 441 H ALA 54 H ALA 54 16.659 14.455 9.658 442 HA ALA 54 HA ALA 54 17.207 11.936 10.932 443 1HB ALA 54 1HB ALA 54 18.220 12.223 8.316 444 2HB ALA 54 2HB ALA 54 18.638 10.967 9.489 445 3HB ALA 54 3HB ALA 54 19.602 12.444 9.396 446 H GLY 55 H GLY 55 18.395 15.118 9.936 447 1HA GLY 55 1HA GLY 55 20.221 15.232 12.260 448 2HA GLY 55 2HA GLY 55 18.845 16.337 12.293 449 H THR 56 H THR 56 20.827 15.308 9.508 450 HA THR 56 HA THR 56 20.951 17.782 8.231 451 HB THR 56 HB THR 56 21.986 18.861 10.068 452 HG1 THR 56 HG1 THR 56 23.126 19.211 8.150 453 1HG2 THR 56 1HG2 THR 56 23.641 16.335 10.292 454 2HG2 THR 56 2HG2 THR 56 24.027 17.814 11.173 455 3HG2 THR 56 3HG2 THR 56 22.501 16.981 11.473 No H/Q in entry = 455 Start of MODEL 9 1 H2 PRO 1 H2 PRO 1 -5.546 8.327 -7.908 2 H3 PRO 1 H3 PRO 1 -4.902 7.913 -9.426 3 HA PRO 1 HA PRO 1 -3.110 9.139 -9.016 4 1HB PRO 1 1HB PRO 1 -4.213 11.682 -8.283 5 2HB PRO 1 2HB PRO 1 -3.515 11.203 -9.836 6 1HG PRO 1 1HG PRO 1 -6.264 11.675 -9.217 7 2HG PRO 1 2HG PRO 1 -5.569 11.163 -10.763 8 1HD PRO 1 1HD PRO 1 -7.089 9.599 -8.825 9 2HD PRO 1 2HD PRO 1 -6.505 9.071 -10.409 10 H GLU 2 H GLU 2 -1.764 9.636 -7.261 11 HA GLU 2 HA GLU 2 -1.129 9.854 -5.011 12 1HB GLU 2 1HB GLU 2 -3.143 11.663 -5.327 13 2HB GLU 2 2HB GLU 2 -3.836 10.622 -4.082 14 1HG GLU 2 1HG GLU 2 -1.893 10.937 -2.661 15 2HG GLU 2 2HG GLU 2 -1.056 11.824 -3.934 16 H PHE 3 H PHE 3 -0.836 8.032 -3.845 17 HA PHE 3 HA PHE 3 -3.231 6.482 -2.991 18 1HB PHE 3 1HB PHE 3 -2.621 4.980 -4.652 19 2HB PHE 3 2HB PHE 3 -0.971 5.600 -4.717 20 HD1 PHE 3 HD1 PHE 3 -3.001 2.893 -3.588 21 HD2 PHE 3 HD2 PHE 3 0.563 5.114 -2.819 22 HE1 PHE 3 HE1 PHE 3 -2.098 0.989 -2.335 23 HE2 PHE 3 HE2 PHE 3 1.467 3.216 -1.577 24 HZ PHE 3 HZ PHE 3 0.143 1.101 -1.361 25 H LEU 4 H LEU 4 -2.711 5.066 -1.153 26 HA LEU 4 HA LEU 4 -1.484 6.398 0.985 27 1HB LEU 4 1HB LEU 4 -1.207 3.949 1.920 28 2HB LEU 4 2HB LEU 4 -2.822 4.577 1.622 29 HG LEU 4 HG LEU 4 -1.755 3.462 -0.803 30 1HD1 LEU 4 1HD1 LEU 4 -1.670 1.798 1.691 31 2HD1 LEU 4 2HD1 LEU 4 -1.725 1.092 0.075 32 3HD1 LEU 4 3HD1 LEU 4 -0.352 2.087 0.565 33 1HD2 LEU 4 1HD2 LEU 4 -4.076 3.048 1.049 34 2HD2 LEU 4 2HD2 LEU 4 -4.085 3.586 -0.630 35 3HD2 LEU 4 3HD2 LEU 4 -3.794 1.888 -0.250 36 H GLU 5 H GLU 5 0.577 7.239 0.215 37 HA GLU 5 HA GLU 5 2.709 5.457 -0.647 38 1HB GLU 5 1HB GLU 5 2.909 8.238 0.564 39 2HB GLU 5 2HB GLU 5 4.163 7.402 -0.348 40 1HG GLU 5 1HG GLU 5 3.244 8.688 -2.036 41 2HG GLU 5 2HG GLU 5 2.234 7.251 -2.186 42 H ASP 6 H ASP 6 1.183 5.912 2.290 43 HA ASP 6 HA ASP 6 3.246 4.396 3.714 44 1HB ASP 6 1HB ASP 6 2.822 7.291 4.124 45 2HB ASP 6 2HB ASP 6 2.704 6.337 5.604 46 HA PRO 7 HA PRO 7 -1.080 3.336 4.707 47 1HB PRO 7 1HB PRO 7 -0.605 0.628 4.742 48 2HB PRO 7 2HB PRO 7 -1.029 1.538 3.291 49 1HG PRO 7 1HG PRO 7 1.608 0.439 4.107 50 2HG PRO 7 2HG PRO 7 0.968 0.783 2.495 51 1HD PRO 7 1HD PRO 7 2.816 2.392 3.925 52 2HD PRO 7 2HD PRO 7 1.919 2.881 2.470 53 H SER 8 H SER 8 1.051 4.064 6.703 54 HA SER 8 HA SER 8 0.904 1.924 8.711 55 1HB SER 8 1HB SER 8 2.955 3.271 8.548 56 2HB SER 8 2HB SER 8 2.031 4.740 8.865 57 HG SER 8 HG SER 8 2.650 4.232 10.839 58 H VAL 9 H VAL 9 -1.378 3.878 7.612 59 HA VAL 9 HA VAL 9 -2.490 4.433 10.328 60 HB VAL 9 HB VAL 9 -3.789 6.283 9.169 61 1HG1 VAL 9 1HG1 VAL 9 -3.451 5.416 6.870 62 2HG1 VAL 9 2HG1 VAL 9 -2.882 7.077 7.028 63 3HG1 VAL 9 3HG1 VAL 9 -1.725 5.747 7.013 64 1HG2 VAL 9 1HG2 VAL 9 -0.999 6.165 9.968 65 2HG2 VAL 9 2HG2 VAL 9 -1.251 7.408 8.742 66 3HG2 VAL 9 3HG2 VAL 9 -2.180 7.447 10.241 67 H LEU 10 H LEU 10 -2.971 2.885 7.272 68 HA LEU 10 HA LEU 10 -5.877 2.595 7.766 69 1HB LEU 10 1HB LEU 10 -5.423 0.984 5.581 70 2HB LEU 10 2HB LEU 10 -5.829 2.696 5.469 71 HG LEU 10 HG LEU 10 -2.958 1.796 5.749 72 1HD1 LEU 10 1HD1 LEU 10 -4.416 0.968 3.637 73 2HD1 LEU 10 2HD1 LEU 10 -3.943 2.565 3.061 74 3HD1 LEU 10 3HD1 LEU 10 -2.723 1.388 3.519 75 1HD2 LEU 10 1HD2 LEU 10 -4.397 4.299 5.510 76 2HD2 LEU 10 2HD2 LEU 10 -2.687 4.037 5.851 77 3HD2 LEU 10 3HD2 LEU 10 -3.250 4.117 4.182 78 H THR 11 H THR 11 -3.757 -0.001 6.619 79 HA THR 11 HA THR 11 -3.379 -1.679 8.721 80 HB THR 11 HB THR 11 -5.623 -1.429 9.499 81 HG1 THR 11 HG1 THR 11 -6.420 -3.483 9.281 82 1HG2 THR 11 1HG2 THR 11 -6.186 -1.425 6.577 83 2HG2 THR 11 2HG2 THR 11 -7.458 -2.055 7.633 84 3HG2 THR 11 3HG2 THR 11 -6.880 -0.394 7.840 85 H LYS 12 H LYS 12 -3.971 -4.117 7.980 86 HA LYS 12 HA LYS 12 -3.086 -4.311 5.188 87 1HB LYS 12 1HB LYS 12 -3.330 -6.140 7.509 88 2HB LYS 12 2HB LYS 12 -3.610 -6.884 5.941 89 1HG LYS 12 1HG LYS 12 -1.343 -7.114 5.973 90 2HG LYS 12 2HG LYS 12 -1.356 -5.449 5.370 91 1HD LYS 12 1HD LYS 12 -0.582 -4.636 7.377 92 2HD LYS 12 2HD LYS 12 -1.659 -5.667 8.305 93 1HE LYS 12 1HE LYS 12 -0.162 -7.587 8.014 94 2HE LYS 12 2HE LYS 12 0.921 -6.609 7.015 95 1HZ LYS 12 1HZ LYS 12 0.206 -5.806 9.766 96 2HZ LYS 12 2HZ LYS 12 1.498 -6.859 9.457 97 3HZ LYS 12 3HZ LYS 12 1.516 -5.285 8.818 98 H ASP 13 H ASP 13 -5.671 -3.152 5.503 99 HA ASP 13 HA ASP 13 -7.361 -5.173 4.129 100 1HB ASP 13 1HB ASP 13 -7.807 -4.375 6.760 101 2HB ASP 13 2HB ASP 13 -8.867 -3.318 5.828 102 H LYS 14 H LYS 14 -7.046 -1.716 5.027 103 HA LYS 14 HA LYS 14 -8.708 -0.756 2.880 104 1HB LYS 14 1HB LYS 14 -8.012 0.366 5.063 105 2HB LYS 14 2HB LYS 14 -6.520 0.761 4.229 106 1HG LYS 14 1HG LYS 14 -9.311 1.459 3.287 107 2HG LYS 14 2HG LYS 14 -8.158 2.578 4.032 108 1HD LYS 14 1HD LYS 14 -7.862 1.149 1.380 109 2HD LYS 14 2HD LYS 14 -8.041 2.843 1.661 110 1HE LYS 14 1HE LYS 14 -5.760 1.349 2.838 111 2HE LYS 14 2HE LYS 14 -5.654 2.067 1.243 112 1HZ LYS 14 1HZ LYS 14 -6.749 4.002 2.872 113 2HZ LYS 14 2HZ LYS 14 -5.476 3.330 3.772 114 3HZ LYS 14 3HZ LYS 14 -5.180 3.978 2.231 115 H LEU 15 H LEU 15 -5.181 -0.695 3.353 116 HA LEU 15 HA LEU 15 -4.316 0.352 0.977 117 1HB LEU 15 1HB LEU 15 -2.646 -1.880 1.177 118 2HB LEU 15 2HB LEU 15 -2.366 -0.300 1.902 119 HG LEU 15 HG LEU 15 -3.497 -0.984 3.940 120 1HD1 LEU 15 1HD1 LEU 15 -4.502 -3.037 2.210 121 2HD1 LEU 15 2HD1 LEU 15 -3.670 -3.770 3.576 122 3HD1 LEU 15 3HD1 LEU 15 -4.999 -2.627 3.866 123 1HD2 LEU 15 1HD2 LEU 15 -1.071 -1.482 3.612 124 2HD2 LEU 15 2HD2 LEU 15 -1.866 -2.619 4.700 125 3HD2 LEU 15 3HD2 LEU 15 -1.521 -3.089 3.036 126 H LYS 16 H LYS 16 -5.958 -2.731 1.338 127 HA LYS 16 HA LYS 16 -5.263 -3.572 -1.361 128 1HB LYS 16 1HB LYS 16 -7.421 -4.729 0.421 129 2HB LYS 16 2HB LYS 16 -6.539 -5.495 -0.856 130 1HG LYS 16 1HG LYS 16 -4.446 -5.231 0.499 131 2HG LYS 16 2HG LYS 16 -5.485 -4.746 1.831 132 1HD LYS 16 1HD LYS 16 -6.135 -7.232 0.304 133 2HD LYS 16 2HD LYS 16 -4.860 -7.301 1.514 134 1HE LYS 16 1HE LYS 16 -6.996 -7.968 2.495 135 2HE LYS 16 2HE LYS 16 -6.463 -6.456 3.211 136 1HZ LYS 16 1HZ LYS 16 -8.181 -6.391 0.831 137 2HZ LYS 16 2HZ LYS 16 -8.884 -6.724 2.342 138 3HZ LYS 16 3HZ LYS 16 -8.053 -5.269 2.097 139 H SER 17 H SER 17 -8.205 -2.493 0.362 140 HA SER 17 HA SER 17 -10.034 -2.524 -1.730 141 1HB SER 17 1HB SER 17 -9.628 -0.700 0.590 142 2HB SER 17 2HB SER 17 -10.863 -0.316 -0.595 143 HG SER 17 HG SER 17 -11.527 -1.668 1.228 144 H GLU 18 H GLU 18 -7.226 -0.577 -1.338 145 HA GLU 18 HA GLU 18 -8.036 1.309 -3.462 146 1HB GLU 18 1HB GLU 18 -5.299 1.320 -2.301 147 2HB GLU 18 2HB GLU 18 -6.328 2.669 -2.725 148 1HG GLU 18 1HG GLU 18 -6.478 0.914 -0.271 149 2HG GLU 18 2HG GLU 18 -6.279 2.655 -0.324 150 H LEU 19 H LEU 19 -5.140 -0.744 -2.819 151 HA LEU 19 HA LEU 19 -3.806 -0.775 -5.166 152 1HB LEU 19 1HB LEU 19 -4.595 -3.095 -3.424 153 2HB LEU 19 2HB LEU 19 -3.749 -3.404 -4.913 154 HG LEU 19 HG LEU 19 -2.550 -1.213 -3.389 155 1HD1 LEU 19 1HD1 LEU 19 -1.810 -3.738 -4.817 156 2HD1 LEU 19 2HD1 LEU 19 -1.283 -2.084 -5.140 157 3HD1 LEU 19 3HD1 LEU 19 -0.622 -2.971 -3.764 158 1HD2 LEU 19 1HD2 LEU 19 -3.293 -3.718 -2.059 159 2HD2 LEU 19 2HD2 LEU 19 -1.549 -3.455 -2.047 160 3HD2 LEU 19 3HD2 LEU 19 -2.630 -2.245 -1.352 161 H VAL 20 H VAL 20 -6.989 -2.242 -4.712 162 HA VAL 20 HA VAL 20 -7.164 -3.381 -7.368 163 HB VAL 20 HB VAL 20 -9.188 -2.687 -5.224 164 1HG1 VAL 20 1HG1 VAL 20 -7.895 -5.164 -6.327 165 2HG1 VAL 20 2HG1 VAL 20 -8.091 -4.663 -4.647 166 3HG1 VAL 20 3HG1 VAL 20 -9.476 -5.273 -5.553 167 1HG2 VAL 20 1HG2 VAL 20 -9.642 -3.103 -8.081 168 2HG2 VAL 20 2HG2 VAL 20 -10.470 -4.313 -7.099 169 3HG2 VAL 20 3HG2 VAL 20 -10.779 -2.598 -6.831 170 H ALA 21 H ALA 21 -8.659 -0.505 -5.887 171 HA ALA 21 HA ALA 21 -9.759 0.605 -8.255 172 1HB ALA 21 1HB ALA 21 -9.823 2.709 -6.982 173 2HB ALA 21 2HB ALA 21 -10.307 1.359 -5.955 174 3HB ALA 21 3HB ALA 21 -8.683 2.042 -5.810 175 H ASN 22 H ASN 22 -6.480 0.302 -7.331 176 HA ASN 22 HA ASN 22 -5.683 2.606 -9.020 177 1HB ASN 22 1HB ASN 22 -4.003 0.851 -7.197 178 2HB ASN 22 2HB ASN 22 -3.489 2.372 -7.936 179 2HD2 ASN 22 2HD2 ASN 22 -4.658 1.218 -4.991 180 1HD2 ASN 22 1HD2 ASN 22 -5.542 2.577 -4.492 181 H ASN 23 H ASN 23 -3.815 -0.408 -8.592 182 HA ASN 23 HA ASN 23 -4.426 -1.398 -11.242 183 1HB ASN 23 1HB ASN 23 -2.953 0.750 -11.551 184 2HB ASN 23 2HB ASN 23 -1.633 -0.307 -11.047 185 2HD2 ASN 23 2HD2 ASN 23 -0.575 -0.921 -12.952 186 1HD2 ASN 23 1HD2 ASN 23 -1.354 -1.504 -14.346 187 H VAL 24 H VAL 24 -4.382 -2.735 -8.857 188 HA VAL 24 HA VAL 24 -2.122 -4.613 -9.277 189 HB VAL 24 HB VAL 24 -2.908 -3.713 -6.506 190 1HG1 VAL 24 1HG1 VAL 24 -1.104 -5.661 -7.662 191 2HG1 VAL 24 2HG1 VAL 24 -0.202 -4.488 -6.700 192 3HG1 VAL 24 3HG1 VAL 24 -1.518 -5.405 -5.966 193 1HG2 VAL 24 1HG2 VAL 24 -1.137 -2.403 -8.506 194 2HG2 VAL 24 2HG2 VAL 24 -2.041 -1.693 -7.169 195 3HG2 VAL 24 3HG2 VAL 24 -0.515 -2.522 -6.862 196 H THR 25 H THR 25 -2.787 -6.759 -8.986 197 HA THR 25 HA THR 25 -5.643 -7.193 -8.576 198 HB THR 25 HB THR 25 -4.332 -9.660 -8.547 199 HG1 THR 25 HG1 THR 25 -3.054 -9.299 -10.532 200 1HG2 THR 25 1HG2 THR 25 -5.743 -8.021 -10.637 201 2HG2 THR 25 2HG2 THR 25 -5.116 -9.625 -11.019 202 3HG2 THR 25 3HG2 THR 25 -6.334 -9.432 -9.759 203 H LEU 26 H LEU 26 -6.395 -8.813 -6.964 204 HA LEU 26 HA LEU 26 -4.819 -8.585 -4.432 205 1HB LEU 26 1HB LEU 26 -7.798 -9.008 -4.761 206 2HB LEU 26 2HB LEU 26 -6.966 -8.780 -3.243 207 HG LEU 26 HG LEU 26 -8.113 -6.853 -4.871 208 1HD1 LEU 26 1HD1 LEU 26 -5.132 -6.714 -4.954 209 2HD1 LEU 26 2HD1 LEU 26 -6.285 -6.476 -6.266 210 3HD1 LEU 26 3HD1 LEU 26 -6.108 -5.248 -5.013 211 1HD2 LEU 26 1HD2 LEU 26 -7.119 -7.103 -2.253 212 2HD2 LEU 26 2HD2 LEU 26 -8.193 -5.861 -2.887 213 3HD2 LEU 26 3HD2 LEU 26 -6.445 -5.614 -2.929 214 HA PRO 27 HA PRO 27 -4.639 -13.021 -5.192 215 1HB PRO 27 1HB PRO 27 -2.636 -13.475 -3.352 216 2HB PRO 27 2HB PRO 27 -2.337 -12.883 -4.995 217 1HG PRO 27 1HG PRO 27 -2.274 -11.379 -2.422 218 2HG PRO 27 2HG PRO 27 -1.369 -11.092 -3.915 219 1HD PRO 27 1HD PRO 27 -3.648 -9.678 -3.083 220 2HD PRO 27 2HD PRO 27 -2.983 -9.666 -4.722 221 H ALA 28 H ALA 28 -3.894 -12.286 -1.765 222 HA ALA 28 HA ALA 28 -5.806 -14.358 -0.935 223 1HB ALA 28 1HB ALA 28 -3.482 -13.077 0.191 224 2HB ALA 28 2HB ALA 28 -4.827 -12.970 1.327 225 3HB ALA 28 3HB ALA 28 -4.305 -14.543 0.726 226 H GLY 29 H GLY 29 -6.985 -13.574 1.293 227 1HA GLY 29 1HA GLY 29 -9.214 -12.528 1.537 228 2HA GLY 29 2HA GLY 29 -8.658 -11.253 0.446 229 H GLU 30 H GLU 30 -8.486 -12.479 3.749 230 HA GLU 30 HA GLU 30 -8.300 -10.014 5.027 231 1HB GLU 30 1HB GLU 30 -8.325 -12.533 5.945 232 2HB GLU 30 2HB GLU 30 -6.602 -12.209 6.135 233 1HG GLU 30 1HG GLU 30 -7.795 -9.896 7.103 234 2HG GLU 30 2HG GLU 30 -8.869 -11.174 7.672 235 H GLN 31 H GLN 31 -5.426 -12.091 4.681 236 HA GLN 31 HA GLN 31 -3.813 -10.318 3.243 237 1HB GLN 31 1HB GLN 31 -4.111 -8.969 5.464 238 2HB GLN 31 2HB GLN 31 -3.063 -10.186 6.176 239 1HG GLN 31 1HG GLN 31 -1.426 -8.767 5.526 240 2HG GLN 31 2HG GLN 31 -1.557 -9.541 3.990 241 2HE2 GLN 31 2HE2 GLN 31 -4.414 -8.026 3.979 242 1HE2 GLN 31 1HE2 GLN 31 -3.980 -6.502 3.396 243 H ARG 32 H ARG 32 -2.370 -11.695 2.434 244 HA ARG 32 HA ARG 32 -1.966 -14.326 3.341 245 1HB ARG 32 1HB ARG 32 -0.897 -12.413 1.367 246 2HB ARG 32 2HB ARG 32 0.253 -13.621 1.867 247 1HG ARG 32 1HG ARG 32 -0.929 -15.352 0.887 248 2HG ARG 32 2HG ARG 32 -2.484 -14.564 1.150 249 1HD ARG 32 1HD ARG 32 -2.050 -14.491 -1.227 250 2HD ARG 32 2HD ARG 32 -1.808 -12.849 -0.614 251 HE ARG 32 HE ARG 32 0.713 -13.687 -0.493 252 1HH1 ARG 32 1HH1 ARG 32 -0.099 -16.138 -2.121 253 2HH1 ARG 32 2HH1 ARG 32 0.320 -15.628 -3.723 254 1HH2 ARG 32 1HH2 ARG 32 0.570 -12.275 -2.874 255 2HH2 ARG 32 2HH2 ARG 32 0.699 -13.441 -4.148 256 H LYS 33 H LYS 33 0.040 -11.410 3.630 257 HA LYS 33 HA LYS 33 0.897 -11.794 6.282 258 1HB LYS 33 1HB LYS 33 1.990 -13.845 5.123 259 2HB LYS 33 2HB LYS 33 3.066 -12.671 4.365 260 1HG LYS 33 1HG LYS 33 4.090 -13.521 6.420 261 2HG LYS 33 2HG LYS 33 3.677 -11.819 6.624 262 1HD LYS 33 1HD LYS 33 1.434 -13.500 7.355 263 2HD LYS 33 2HD LYS 33 2.873 -13.964 8.264 264 1HE LYS 33 1HE LYS 33 2.968 -11.195 8.319 265 2HE LYS 33 2HE LYS 33 1.244 -11.535 8.464 266 1HZ LYS 33 1HZ LYS 33 2.707 -13.332 10.069 267 2HZ LYS 33 2HZ LYS 33 3.183 -11.743 10.436 268 3HZ LYS 33 3HZ LYS 33 1.547 -12.188 10.542 269 H ASP 34 H ASP 34 0.453 -9.445 5.902 270 HA ASP 34 HA ASP 34 1.123 -7.247 5.273 271 1HB ASP 34 1HB ASP 34 3.314 -8.580 6.478 272 2HB ASP 34 2HB ASP 34 3.977 -7.853 5.012 273 H VAL 35 H VAL 35 0.594 -9.373 3.239 274 HA VAL 35 HA VAL 35 2.513 -8.965 1.104 275 HB VAL 35 HB VAL 35 -0.249 -10.240 1.049 276 1HG1 VAL 35 1HG1 VAL 35 2.400 -11.055 1.947 277 2HG1 VAL 35 2HG1 VAL 35 0.851 -11.863 2.148 278 3HG1 VAL 35 3HG1 VAL 35 1.793 -12.114 0.677 279 1HG2 VAL 35 1HG2 VAL 35 0.738 -9.261 -1.140 280 2HG2 VAL 35 2HG2 VAL 35 1.962 -10.529 -0.986 281 3HG2 VAL 35 3HG2 VAL 35 0.260 -10.963 -1.136 282 H TYR 36 H TYR 36 -0.427 -7.343 2.079 283 HA TYR 36 HA TYR 36 -0.682 -6.022 -0.525 284 1HB TYR 36 1HB TYR 36 -2.165 -5.727 2.066 285 2HB TYR 36 2HB TYR 36 -2.593 -4.974 0.542 286 HD1 TYR 36 HD1 TYR 36 -3.655 -6.230 -1.190 287 HD2 TYR 36 HD2 TYR 36 -2.035 -8.127 2.249 288 HE1 TYR 36 HE1 TYR 36 -4.849 -8.318 -1.791 289 HE2 TYR 36 HE2 TYR 36 -3.183 -10.215 1.704 290 HH TYR 36 HH TYR 36 -4.710 -11.180 0.339 291 H VAL 37 H VAL 37 0.436 -5.513 2.719 292 HA VAL 37 HA VAL 37 0.733 -2.667 2.469 293 HB VAL 37 HB VAL 37 2.075 -4.685 4.314 294 1HG1 VAL 37 1HG1 VAL 37 -0.570 -4.157 4.208 295 2HG1 VAL 37 2HG1 VAL 37 0.275 -4.423 5.738 296 3HG1 VAL 37 3HG1 VAL 37 -0.058 -2.780 5.191 297 1HG2 VAL 37 1HG2 VAL 37 2.734 -1.978 3.846 298 2HG2 VAL 37 2HG2 VAL 37 1.800 -1.982 5.343 299 3HG2 VAL 37 3HG2 VAL 37 3.254 -2.972 5.207 300 H GLN 38 H GLN 38 2.807 -5.519 2.016 301 HA GLN 38 HA GLN 38 5.129 -4.011 1.120 302 1HB GLN 38 1HB GLN 38 5.530 -6.185 2.074 303 2HB GLN 38 2HB GLN 38 4.332 -6.938 1.025 304 1HG GLN 38 1HG GLN 38 6.120 -7.468 -0.269 305 2HG GLN 38 2HG GLN 38 6.015 -5.795 -0.805 306 2HE2 GLN 38 2HE2 GLN 38 7.253 -7.361 2.206 307 1HE2 GLN 38 1HE2 GLN 38 8.761 -6.574 2.169 308 H LEU 39 H LEU 39 2.744 -6.143 -0.445 309 HA LEU 39 HA LEU 39 3.318 -5.922 -3.151 310 1HB LEU 39 1HB LEU 39 0.795 -6.107 -1.642 311 2HB LEU 39 2HB LEU 39 0.563 -5.430 -3.224 312 HG LEU 39 HG LEU 39 2.110 -7.980 -2.792 313 1HD1 LEU 39 1HD1 LEU 39 -0.417 -7.906 -2.047 314 2HD1 LEU 39 2HD1 LEU 39 -0.731 -7.845 -3.782 315 3HD1 LEU 39 3HD1 LEU 39 0.135 -9.217 -3.092 316 1HD2 LEU 39 1HD2 LEU 39 1.017 -6.378 -5.090 317 2HD2 LEU 39 2HD2 LEU 39 2.595 -7.156 -4.926 318 3HD2 LEU 39 3HD2 LEU 39 1.164 -8.131 -5.257 319 H TYR 40 H TYR 40 1.570 -3.551 -1.211 320 HA TYR 40 HA TYR 40 1.172 -1.555 -3.113 321 1HB TYR 40 1HB TYR 40 0.163 -0.780 -1.259 322 2HB TYR 40 2HB TYR 40 1.058 -1.904 -0.261 323 HD1 TYR 40 HD1 TYR 40 1.997 -0.859 1.550 324 HD2 TYR 40 HD2 TYR 40 2.098 1.134 -2.236 325 HE1 TYR 40 HE1 TYR 40 3.327 0.975 2.549 326 HE2 TYR 40 HE2 TYR 40 3.407 2.979 -1.235 327 HH TYR 40 HH TYR 40 3.852 3.271 2.165 328 H LEU 41 H LEU 41 3.933 -1.704 -0.765 329 HA LEU 41 HA LEU 41 5.288 0.473 -1.980 330 1HB LEU 41 1HB LEU 41 6.614 -1.881 -0.607 331 2HB LEU 41 2HB LEU 41 7.259 -0.250 -0.773 332 HG LEU 41 HG LEU 41 4.587 -0.566 0.537 333 1HD1 LEU 41 1HD1 LEU 41 6.998 -1.888 1.447 334 2HD1 LEU 41 2HD1 LEU 41 6.498 -0.656 2.605 335 3HD1 LEU 41 3HD1 LEU 41 5.378 -1.937 2.141 336 1HD2 LEU 41 1HD2 LEU 41 5.656 1.668 0.105 337 2HD2 LEU 41 2HD2 LEU 41 5.345 1.364 1.819 338 3HD2 LEU 41 3HD2 LEU 41 6.983 1.190 1.171 339 H GLN 42 H GLN 42 4.933 -2.789 -3.111 340 HA GLN 42 HA GLN 42 7.335 -2.800 -4.741 341 1HB GLN 42 1HB GLN 42 5.662 -4.742 -3.877 342 2HB GLN 42 2HB GLN 42 5.114 -4.572 -5.541 343 1HG GLN 42 1HG GLN 42 7.905 -5.207 -4.561 344 2HG GLN 42 2HG GLN 42 6.870 -6.193 -5.594 345 2HE2 GLN 42 2HE2 GLN 42 8.949 -3.317 -5.539 346 1HE2 GLN 42 1HE2 GLN 42 9.031 -3.130 -7.224 347 H HIS 43 H HIS 43 3.898 -2.828 -5.815 348 HA HIS 43 HA HIS 43 4.685 -1.827 -8.458 349 1HB HIS 43 1HB HIS 43 1.854 -1.867 -7.456 350 2HB HIS 43 2HB HIS 43 2.467 -2.233 -9.080 351 HD1 HIS 43 HD1 HIS 43 3.380 -4.635 -9.491 352 HD2 HIS 43 HD2 HIS 43 2.029 -3.957 -5.614 353 HE1 HIS 43 HE1 HIS 43 3.266 -6.908 -8.376 354 H LEU 44 H LEU 44 3.181 -0.603 -5.555 355 HA LEU 44 HA LEU 44 2.656 1.998 -6.840 356 1HB LEU 44 1HB LEU 44 2.147 1.061 -4.015 357 2HB LEU 44 2HB LEU 44 1.583 2.568 -4.710 358 HG LEU 44 HG LEU 44 0.363 -0.117 -4.853 359 1HD1 LEU 44 1HD1 LEU 44 -0.367 2.512 -4.547 360 2HD1 LEU 44 2HD1 LEU 44 -0.934 2.169 -6.170 361 3HD1 LEU 44 3HD1 LEU 44 -1.483 1.176 -4.825 362 1HD2 LEU 44 1HD2 LEU 44 1.262 1.118 -7.422 363 2HD2 LEU 44 2HD2 LEU 44 0.754 -0.531 -7.082 364 3HD2 LEU 44 3HD2 LEU 44 -0.445 0.732 -7.317 365 H THR 45 H THR 45 5.166 0.512 -4.976 366 HA THR 45 HA THR 45 7.032 1.467 -3.879 367 HB THR 45 HB THR 45 7.539 3.634 -5.563 368 HG1 THR 45 HG1 THR 45 7.069 2.257 -7.582 369 1HG2 THR 45 1HG2 THR 45 8.235 0.691 -5.688 370 2HG2 THR 45 2HG2 THR 45 8.990 1.893 -6.735 371 3HG2 THR 45 3HG2 THR 45 9.201 1.990 -4.986 372 H ALA 46 H ALA 46 4.338 2.752 -3.130 373 HA ALA 46 HA ALA 46 3.607 4.691 -2.024 374 1HB ALA 46 1HB ALA 46 6.516 4.793 -1.154 375 2HB ALA 46 2HB ALA 46 5.136 5.515 -0.324 376 3HB ALA 46 3HB ALA 46 5.303 3.760 -0.401 377 H ARG 47 H ARG 47 3.850 5.271 -4.483 378 HA ARG 47 HA ARG 47 5.258 6.797 -6.001 379 1HB ARG 47 1HB ARG 47 3.155 8.592 -5.572 380 2HB ARG 47 2HB ARG 47 3.156 7.267 -6.702 381 1HG ARG 47 1HG ARG 47 2.560 6.548 -3.873 382 2HG ARG 47 2HG ARG 47 1.366 7.582 -4.650 383 1HD ARG 47 1HD ARG 47 2.447 5.088 -5.971 384 2HD ARG 47 2HD ARG 47 1.053 5.076 -4.912 385 HE ARG 47 HE ARG 47 0.200 6.927 -6.602 386 1HH1 ARG 47 1HH1 ARG 47 2.694 5.800 -8.216 387 2HH1 ARG 47 2HH1 ARG 47 1.845 4.869 -9.404 388 1HH2 ARG 47 1HH2 ARG 47 -1.185 4.993 -7.721 389 2HH2 ARG 47 2HH2 ARG 47 -0.352 4.413 -9.124 390 H ASN 48 H ASN 48 3.590 9.005 -3.798 391 HA ASN 48 HA ASN 48 5.835 10.862 -3.917 392 1HB ASN 48 1HB ASN 48 3.851 11.486 -1.843 393 2HB ASN 48 2HB ASN 48 4.321 12.409 -3.273 394 2HD2 ASN 48 2HD2 ASN 48 3.674 10.889 -5.384 395 1HD2 ASN 48 1HD2 ASN 48 2.038 10.497 -5.370 396 H ARG 49 H ARG 49 4.988 8.340 -1.702 397 HA ARG 49 HA ARG 49 5.826 7.761 0.364 398 1HB ARG 49 1HB ARG 49 8.032 8.639 -1.360 399 2HB ARG 49 2HB ARG 49 8.410 8.641 0.354 400 1HG ARG 49 1HG ARG 49 6.998 6.240 -0.104 401 2HG ARG 49 2HG ARG 49 8.063 6.406 -1.463 402 1HD ARG 49 1HD ARG 49 8.767 5.947 1.377 403 2HD ARG 49 2HD ARG 49 9.558 5.371 -0.085 404 HE ARG 49 HE ARG 49 10.112 8.051 -0.152 405 1HH1 ARG 49 1HH1 ARG 49 9.667 6.786 2.873 406 2HH1 ARG 49 2HH1 ARG 49 11.300 6.985 3.414 407 1HH2 ARG 49 1HH2 ARG 49 12.523 7.806 0.275 408 2HH2 ARG 49 2HH2 ARG 49 12.917 7.562 1.944 409 HA PRO 50 HA PRO 50 6.180 11.041 3.152 410 1HB PRO 50 1HB PRO 50 7.614 9.841 5.173 411 2HB PRO 50 2HB PRO 50 5.932 9.438 4.792 412 1HG PRO 50 1HG PRO 50 8.361 7.822 4.355 413 2HG PRO 50 2HG PRO 50 6.667 7.317 4.272 414 1HD PRO 50 1HD PRO 50 8.482 8.008 2.097 415 2HD PRO 50 2HD PRO 50 6.860 7.298 1.963 416 HA PRO 51 HA PRO 51 10.124 13.012 2.395 417 1HB PRO 51 1HB PRO 51 9.479 15.414 3.570 418 2HB PRO 51 2HB PRO 51 8.949 14.944 1.947 419 1HG PRO 51 1HG PRO 51 7.382 15.032 4.492 420 2HG PRO 51 2HG PRO 51 6.822 15.229 2.825 421 1HD PRO 51 1HD PRO 51 6.562 12.887 4.394 422 2HD PRO 51 2HD PRO 51 6.340 12.994 2.632 423 H LEU 52 H LEU 52 9.124 11.698 5.210 424 HA LEU 52 HA LEU 52 9.994 11.581 7.399 425 1HB LEU 52 1HB LEU 52 12.324 11.818 5.532 426 2HB LEU 52 2HB LEU 52 12.631 11.883 7.268 427 HG LEU 52 HG LEU 52 12.738 9.558 6.279 428 1HD1 LEU 52 1HD1 LEU 52 10.873 9.899 4.654 429 2HD1 LEU 52 2HD1 LEU 52 10.614 8.482 5.673 430 3HD1 LEU 52 3HD1 LEU 52 9.741 9.979 6.004 431 1HD2 LEU 52 1HD2 LEU 52 12.254 9.985 8.689 432 2HD2 LEU 52 2HD2 LEU 52 10.531 10.035 8.313 433 3HD2 LEU 52 3HD2 LEU 52 11.437 8.537 8.098 434 HA PRO 53 HA PRO 53 10.198 16.147 7.907 435 1HB PRO 53 1HB PRO 53 8.056 16.272 9.626 436 2HB PRO 53 2HB PRO 53 7.904 16.377 7.862 437 1HG PRO 53 1HG PRO 53 7.248 14.098 9.682 438 2HG PRO 53 2HG PRO 53 6.562 14.501 8.101 439 1HD PRO 53 1HD PRO 53 8.510 12.502 8.618 440 2HD PRO 53 2HD PRO 53 8.054 13.127 7.019 441 H ALA 54 H ALA 54 10.956 13.484 9.650 442 HA ALA 54 HA ALA 54 12.253 13.271 11.605 443 1HB ALA 54 1HB ALA 54 12.491 16.005 10.788 444 2HB ALA 54 2HB ALA 54 12.339 15.962 12.548 445 3HB ALA 54 3HB ALA 54 13.624 15.051 11.752 446 H GLY 55 H GLY 55 9.171 13.677 11.473 447 1HA GLY 55 1HA GLY 55 7.951 14.904 13.550 448 2HA GLY 55 2HA GLY 55 8.814 13.623 14.403 449 H THR 56 H THR 56 8.549 11.633 12.321 450 HA THR 56 HA THR 56 6.985 10.112 11.424 451 HB THR 56 HB THR 56 5.745 9.084 13.099 452 HG1 THR 56 HG1 THR 56 4.419 10.157 14.352 453 1HG2 THR 56 1HG2 THR 56 8.095 9.420 13.860 454 2HG2 THR 56 2HG2 THR 56 7.587 10.891 14.690 455 3HG2 THR 56 3HG2 THR 56 6.960 9.326 15.206 No H/Q in entry = 455 Start of MODEL 10 1 H2 PRO 1 H2 PRO 1 -2.629 11.343 -8.762 2 H3 PRO 1 H3 PRO 1 -3.756 11.155 -10.021 3 HA PRO 1 HA PRO 1 -4.667 9.440 -8.969 4 1HB PRO 1 1HB PRO 1 -2.424 7.733 -8.444 5 2HB PRO 1 2HB PRO 1 -3.636 7.577 -9.721 6 1HG PRO 1 1HG PRO 1 -0.898 8.347 -9.985 7 2HG PRO 1 2HG PRO 1 -2.123 8.228 -11.259 8 1HD PRO 1 1HD PRO 1 -0.981 10.614 -10.027 9 2HD PRO 1 2HD PRO 1 -2.122 10.544 -11.376 10 H GLU 2 H GLU 2 -1.427 9.795 -7.468 11 HA GLU 2 HA GLU 2 -0.828 9.994 -5.207 12 1HB GLU 2 1HB GLU 2 -3.645 11.010 -4.778 13 2HB GLU 2 2HB GLU 2 -2.199 11.407 -3.850 14 1HG GLU 2 1HG GLU 2 -1.434 12.896 -5.423 15 2HG GLU 2 2HG GLU 2 -2.108 11.978 -6.771 16 H PHE 3 H PHE 3 -0.605 8.088 -4.145 17 HA PHE 3 HA PHE 3 -3.087 6.727 -3.196 18 1HB PHE 3 1HB PHE 3 -2.508 5.153 -4.796 19 2HB PHE 3 2HB PHE 3 -0.831 5.686 -4.835 20 HD1 PHE 3 HD1 PHE 3 -3.027 3.130 -3.689 21 HD2 PHE 3 HD2 PHE 3 0.641 5.164 -2.863 22 HE1 PHE 3 HE1 PHE 3 -2.275 1.208 -2.437 23 HE2 PHE 3 HE2 PHE 3 1.414 3.206 -1.567 24 HZ PHE 3 HZ PHE 3 -0.054 1.186 -1.375 25 H LEU 4 H LEU 4 -2.676 5.386 -1.303 26 HA LEU 4 HA LEU 4 -1.403 6.734 0.801 27 1HB LEU 4 1HB LEU 4 -1.330 4.304 1.829 28 2HB LEU 4 2HB LEU 4 -2.881 5.047 1.487 29 HG LEU 4 HG LEU 4 -1.685 3.646 -0.804 30 1HD1 LEU 4 1HD1 LEU 4 -0.972 2.214 1.108 31 2HD1 LEU 4 2HD1 LEU 4 -2.661 2.106 1.606 32 3HD1 LEU 4 3HD1 LEU 4 -2.150 1.420 0.060 33 1HD2 LEU 4 1HD2 LEU 4 -4.180 4.527 0.115 34 2HD2 LEU 4 2HD2 LEU 4 -3.868 3.609 -1.358 35 3HD2 LEU 4 3HD2 LEU 4 -4.278 2.767 0.138 36 H GLU 5 H GLU 5 0.713 7.404 0.001 37 HA GLU 5 HA GLU 5 2.701 5.514 -0.855 38 1HB GLU 5 1HB GLU 5 3.058 8.250 0.408 39 2HB GLU 5 2HB GLU 5 4.315 7.343 -0.434 40 1HG GLU 5 1HG GLU 5 3.558 8.685 -2.164 41 2HG GLU 5 2HG GLU 5 2.489 7.297 -2.387 42 H ASP 6 H ASP 6 1.280 6.067 2.140 43 HA ASP 6 HA ASP 6 3.187 4.269 3.455 44 1HB ASP 6 1HB ASP 6 2.591 6.968 4.697 45 2HB ASP 6 2HB ASP 6 3.726 5.749 5.276 46 HA PRO 7 HA PRO 7 -1.200 3.709 4.591 47 1HB PRO 7 1HB PRO 7 -1.108 0.965 4.399 48 2HB PRO 7 2HB PRO 7 -1.465 2.028 3.032 49 1HG PRO 7 1HG PRO 7 1.031 0.523 3.656 50 2HG PRO 7 2HG PRO 7 0.410 1.061 2.088 51 1HD PRO 7 1HD PRO 7 2.500 2.293 3.570 52 2HD PRO 7 2HD PRO 7 1.658 3.004 2.178 53 H SER 8 H SER 8 1.038 4.064 6.501 54 HA SER 8 HA SER 8 0.851 1.786 8.352 55 1HB SER 8 1HB SER 8 2.419 3.076 9.736 56 2HB SER 8 2HB SER 8 2.992 3.010 8.069 57 HG SER 8 HG SER 8 2.358 5.147 9.555 58 H VAL 9 H VAL 9 -1.373 3.918 7.618 59 HA VAL 9 HA VAL 9 -2.162 4.367 10.464 60 HB VAL 9 HB VAL 9 -3.103 6.481 9.907 61 1HG1 VAL 9 1HG1 VAL 9 -2.557 5.760 7.014 62 2HG1 VAL 9 2HG1 VAL 9 -4.144 5.798 7.782 63 3HG1 VAL 9 3HG1 VAL 9 -3.228 7.291 7.577 64 1HG2 VAL 9 1HG2 VAL 9 -0.399 5.941 9.565 65 2HG2 VAL 9 2HG2 VAL 9 -0.814 6.873 8.126 66 3HG2 VAL 9 3HG2 VAL 9 -1.114 7.545 9.729 67 H LEU 10 H LEU 10 -2.926 2.789 7.592 68 HA LEU 10 HA LEU 10 -5.832 2.766 8.252 69 1HB LEU 10 1HB LEU 10 -5.637 1.318 5.902 70 2HB LEU 10 2HB LEU 10 -6.001 3.042 5.981 71 HG LEU 10 HG LEU 10 -3.187 1.933 5.740 72 1HD1 LEU 10 1HD1 LEU 10 -5.253 2.786 3.764 73 2HD1 LEU 10 2HD1 LEU 10 -3.563 3.141 3.409 74 3HD1 LEU 10 3HD1 LEU 10 -4.091 1.473 3.642 75 1HD2 LEU 10 1HD2 LEU 10 -4.233 4.509 6.438 76 2HD2 LEU 10 2HD2 LEU 10 -2.547 4.059 6.179 77 3HD2 LEU 10 3HD2 LEU 10 -3.527 4.625 4.827 78 H THR 11 H THR 11 -3.824 0.214 6.783 79 HA THR 11 HA THR 11 -3.535 -1.616 8.818 80 HB THR 11 HB THR 11 -5.803 -1.435 9.481 81 HG1 THR 11 HG1 THR 11 -6.027 -3.497 9.415 82 1HG2 THR 11 1HG2 THR 11 -6.212 -1.091 6.558 83 2HG2 THR 11 2HG2 THR 11 -7.558 -1.784 7.475 84 3HG2 THR 11 3HG2 THR 11 -6.933 -0.178 7.896 85 H LYS 12 H LYS 12 -4.193 -4.011 7.827 86 HA LYS 12 HA LYS 12 -3.014 -3.982 5.135 87 1HB LYS 12 1HB LYS 12 -3.370 -5.985 7.264 88 2HB LYS 12 2HB LYS 12 -3.710 -6.627 5.657 89 1HG LYS 12 1HG LYS 12 -1.421 -6.966 5.701 90 2HG LYS 12 2HG LYS 12 -1.428 -5.320 5.084 91 1HD LYS 12 1HD LYS 12 0.148 -5.573 6.980 92 2HD LYS 12 2HD LYS 12 -1.155 -4.451 7.375 93 1HE LYS 12 1HE LYS 12 -1.669 -5.722 9.161 94 2HE LYS 12 2HE LYS 12 -2.067 -7.052 8.073 95 1HZ LYS 12 1HZ LYS 12 0.392 -7.520 8.026 96 2HZ LYS 12 2HZ LYS 12 0.541 -6.448 9.336 97 3HZ LYS 12 3HZ LYS 12 -0.397 -7.852 9.494 98 H ASP 13 H ASP 13 -5.926 -3.210 6.112 99 HA ASP 13 HA ASP 13 -7.469 -4.894 4.219 100 1HB ASP 13 1HB ASP 13 -8.111 -3.406 6.700 101 2HB ASP 13 2HB ASP 13 -9.359 -3.372 5.451 102 H LYS 14 H LYS 14 -7.102 -1.414 5.093 103 HA LYS 14 HA LYS 14 -8.600 -0.383 2.897 104 1HB LYS 14 1HB LYS 14 -7.707 0.762 5.008 105 2HB LYS 14 2HB LYS 14 -6.226 0.985 4.091 106 1HG LYS 14 1HG LYS 14 -8.998 1.966 3.374 107 2HG LYS 14 2HG LYS 14 -7.604 2.949 3.807 108 1HD LYS 14 1HD LYS 14 -7.899 1.240 1.318 109 2HD LYS 14 2HD LYS 14 -7.888 2.971 1.402 110 1HE LYS 14 1HE LYS 14 -5.561 1.530 2.507 111 2HE LYS 14 2HE LYS 14 -5.678 1.687 0.767 112 1HZ LYS 14 1HZ LYS 14 -5.954 3.998 2.611 113 2HZ LYS 14 2HZ LYS 14 -4.481 3.551 1.905 114 3HZ LYS 14 3HZ LYS 14 -5.777 4.035 0.926 115 H LEU 15 H LEU 15 -5.084 -0.415 3.296 116 HA LEU 15 HA LEU 15 -4.215 0.435 0.871 117 1HB LEU 15 1HB LEU 15 -2.596 -1.822 1.197 118 2HB LEU 15 2HB LEU 15 -2.274 -0.202 1.814 119 HG LEU 15 HG LEU 15 -3.421 -0.730 3.897 120 1HD1 LEU 15 1HD1 LEU 15 -4.638 -2.722 2.362 121 2HD1 LEU 15 2HD1 LEU 15 -3.591 -3.594 3.473 122 3HD1 LEU 15 3HD1 LEU 15 -4.829 -2.479 4.105 123 1HD2 LEU 15 1HD2 LEU 15 -0.998 -1.305 3.522 124 2HD2 LEU 15 2HD2 LEU 15 -1.790 -2.284 4.757 125 3HD2 LEU 15 3HD2 LEU 15 -1.515 -2.950 3.145 126 H LYS 16 H LYS 16 -5.963 -2.561 1.347 127 HA LYS 16 HA LYS 16 -5.242 -3.520 -1.296 128 1HB LYS 16 1HB LYS 16 -7.486 -4.647 0.351 129 2HB LYS 16 2HB LYS 16 -6.346 -5.447 -0.688 130 1HG LYS 16 1HG LYS 16 -4.551 -5.044 0.902 131 2HG LYS 16 2HG LYS 16 -5.700 -4.260 1.974 132 1HD LYS 16 1HD LYS 16 -6.054 -7.060 0.931 133 2HD LYS 16 2HD LYS 16 -5.317 -6.702 2.490 134 1HE LYS 16 1HE LYS 16 -7.337 -6.474 3.420 135 2HE LYS 16 2HE LYS 16 -7.774 -5.241 2.239 136 1HZ LYS 16 1HZ LYS 16 -7.847 -7.645 0.892 137 2HZ LYS 16 2HZ LYS 16 -8.602 -7.949 2.383 138 3HZ LYS 16 3HZ LYS 16 -9.176 -6.707 1.381 139 H SER 17 H SER 17 -8.229 -2.497 0.370 140 HA SER 17 HA SER 17 -10.041 -2.461 -1.722 141 1HB SER 17 1HB SER 17 -9.649 -0.886 0.713 142 2HB SER 17 2HB SER 17 -10.551 -0.036 -0.535 143 HG SER 17 HG SER 17 -11.771 -2.108 -0.678 144 H GLU 18 H GLU 18 -7.287 -0.429 -1.190 145 HA GLU 18 HA GLU 18 -7.940 1.444 -3.354 146 1HB GLU 18 1HB GLU 18 -5.530 1.014 -1.615 147 2HB GLU 18 2HB GLU 18 -5.604 2.289 -2.825 148 1HG GLU 18 1HG GLU 18 -7.712 1.962 -0.664 149 2HG GLU 18 2HG GLU 18 -6.272 2.900 -0.382 150 H LEU 19 H LEU 19 -5.241 -0.859 -2.714 151 HA LEU 19 HA LEU 19 -3.880 -0.792 -5.024 152 1HB LEU 19 1HB LEU 19 -4.613 -3.082 -3.308 153 2HB LEU 19 2HB LEU 19 -3.844 -3.419 -4.826 154 HG LEU 19 HG LEU 19 -2.602 -1.153 -3.424 155 1HD1 LEU 19 1HD1 LEU 19 -2.019 -3.441 -5.123 156 2HD1 LEU 19 2HD1 LEU 19 -1.081 -1.963 -4.896 157 3HD1 LEU 19 3HD1 LEU 19 -0.857 -3.337 -3.807 158 1HD2 LEU 19 1HD2 LEU 19 -3.293 -3.561 -1.932 159 2HD2 LEU 19 2HD2 LEU 19 -1.544 -3.419 -2.082 160 3HD2 LEU 19 3HD2 LEU 19 -2.474 -2.109 -1.357 161 H VAL 20 H VAL 20 -7.120 -2.022 -4.686 162 HA VAL 20 HA VAL 20 -7.264 -3.204 -7.337 163 HB VAL 20 HB VAL 20 -9.300 -2.398 -5.245 164 1HG1 VAL 20 1HG1 VAL 20 -8.203 -4.947 -6.405 165 2HG1 VAL 20 2HG1 VAL 20 -8.367 -4.475 -4.714 166 3HG1 VAL 20 3HG1 VAL 20 -9.793 -4.937 -5.644 167 1HG2 VAL 20 1HG2 VAL 20 -9.868 -3.494 -8.023 168 2HG2 VAL 20 2HG2 VAL 20 -11.058 -3.304 -6.736 169 3HG2 VAL 20 3HG2 VAL 20 -10.294 -1.882 -7.447 170 H ALA 21 H ALA 21 -8.455 -0.194 -5.877 171 HA ALA 21 HA ALA 21 -9.498 1.030 -8.200 172 1HB ALA 21 1HB ALA 21 -9.231 3.148 -6.919 173 2HB ALA 21 2HB ALA 21 -9.965 1.861 -5.961 174 3HB ALA 21 3HB ALA 21 -8.263 2.272 -5.730 175 H ASN 22 H ASN 22 -6.096 0.823 -7.165 176 HA ASN 22 HA ASN 22 -5.298 2.971 -8.980 177 1HB ASN 22 1HB ASN 22 -3.043 1.479 -8.398 178 2HB ASN 22 2HB ASN 22 -3.495 2.898 -7.483 179 2HD2 ASN 22 2HD2 ASN 22 -4.522 2.453 -5.339 180 1HD2 ASN 22 1HD2 ASN 22 -4.525 0.909 -4.663 181 H ASN 23 H ASN 23 -4.130 -0.384 -8.802 182 HA ASN 23 HA ASN 23 -5.022 -1.308 -11.309 183 1HB ASN 23 1HB ASN 23 -3.701 0.566 -12.253 184 2HB ASN 23 2HB ASN 23 -2.263 -0.044 -11.436 185 2HD2 ASN 23 2HD2 ASN 23 -1.089 -0.617 -13.364 186 1HD2 ASN 23 1HD2 ASN 23 -1.606 -1.849 -14.414 187 H VAL 24 H VAL 24 -4.768 -2.543 -8.945 188 HA VAL 24 HA VAL 24 -2.578 -4.503 -9.423 189 HB VAL 24 HB VAL 24 -3.266 -3.549 -6.640 190 1HG1 VAL 24 1HG1 VAL 24 -1.433 -5.445 -7.877 191 2HG1 VAL 24 2HG1 VAL 24 -0.564 -4.265 -6.895 192 3HG1 VAL 24 3HG1 VAL 24 -1.843 -5.241 -6.174 193 1HG2 VAL 24 1HG2 VAL 24 -1.191 -2.414 -8.544 194 2HG2 VAL 24 2HG2 VAL 24 -2.564 -1.554 -7.847 195 3HG2 VAL 24 3HG2 VAL 24 -1.238 -2.084 -6.813 196 H THR 25 H THR 25 -3.279 -6.621 -9.099 197 HA THR 25 HA THR 25 -6.108 -7.031 -8.535 198 HB THR 25 HB THR 25 -4.749 -9.490 -8.401 199 HG1 THR 25 HG1 THR 25 -3.015 -9.177 -9.509 200 1HG2 THR 25 1HG2 THR 25 -6.343 -8.027 -10.489 201 2HG2 THR 25 2HG2 THR 25 -5.695 -9.634 -10.816 202 3HG2 THR 25 3HG2 THR 25 -6.830 -9.395 -9.487 203 H LEU 26 H LEU 26 -6.750 -8.618 -6.779 204 HA LEU 26 HA LEU 26 -5.103 -8.082 -4.349 205 1HB LEU 26 1HB LEU 26 -8.049 -8.707 -4.618 206 2HB LEU 26 2HB LEU 26 -7.223 -8.453 -3.096 207 HG LEU 26 HG LEU 26 -8.467 -6.551 -4.632 208 1HD1 LEU 26 1HD1 LEU 26 -5.489 -6.287 -4.937 209 2HD1 LEU 26 2HD1 LEU 26 -6.714 -6.261 -6.204 210 3HD1 LEU 26 3HD1 LEU 26 -6.583 -4.916 -5.076 211 1HD2 LEU 26 1HD2 LEU 26 -7.482 -6.786 -2.106 212 2HD2 LEU 26 2HD2 LEU 26 -6.460 -5.509 -2.777 213 3HD2 LEU 26 3HD2 LEU 26 -8.213 -5.321 -2.759 214 HA PRO 27 HA PRO 27 -4.679 -12.582 -4.799 215 1HB PRO 27 1HB PRO 27 -2.133 -12.619 -3.736 216 2HB PRO 27 2HB PRO 27 -2.460 -12.305 -5.448 217 1HG PRO 27 1HG PRO 27 -1.685 -10.382 -3.306 218 2HG PRO 27 2HG PRO 27 -1.375 -10.311 -5.048 219 1HD PRO 27 1HD PRO 27 -3.375 -8.884 -3.673 220 2HD PRO 27 2HD PRO 27 -3.297 -9.109 -5.427 221 H ALA 28 H ALA 28 -4.234 -14.200 -2.969 222 HA ALA 28 HA ALA 28 -4.433 -14.877 -0.704 223 1HB ALA 28 1HB ALA 28 -3.269 -12.265 -0.580 224 2HB ALA 28 2HB ALA 28 -4.527 -12.354 0.651 225 3HB ALA 28 3HB ALA 28 -3.216 -13.530 0.643 226 H GLY 29 H GLY 29 -5.941 -14.000 1.331 227 1HA GLY 29 1HA GLY 29 -8.406 -14.388 1.542 228 2HA GLY 29 2HA GLY 29 -8.589 -13.432 0.065 229 H GLU 30 H GLU 30 -6.983 -13.041 3.236 230 HA GLU 30 HA GLU 30 -8.175 -10.298 3.363 231 1HB GLU 30 1HB GLU 30 -8.292 -12.474 5.231 232 2HB GLU 30 2HB GLU 30 -7.342 -11.173 5.949 233 1HG GLU 30 1HG GLU 30 -9.139 -9.782 6.103 234 2HG GLU 30 2HG GLU 30 -9.780 -10.282 4.538 235 H GLN 31 H GLN 31 -5.374 -12.337 4.057 236 HA GLN 31 HA GLN 31 -3.462 -10.403 3.282 237 1HB GLN 31 1HB GLN 31 -4.274 -9.219 5.353 238 2HB GLN 31 2HB GLN 31 -3.799 -10.622 6.301 239 1HG GLN 31 1HG GLN 31 -1.507 -9.842 4.760 240 2HG GLN 31 2HG GLN 31 -2.226 -8.415 5.487 241 2HE2 GLN 31 2HE2 GLN 31 -2.382 -11.695 6.882 242 1HE2 GLN 31 1HE2 GLN 31 -1.494 -11.314 8.276 243 H ARG 32 H ARG 32 -2.026 -11.804 2.565 244 HA ARG 32 HA ARG 32 -1.702 -14.471 3.503 245 1HB ARG 32 1HB ARG 32 -0.607 -12.586 1.517 246 2HB ARG 32 2HB ARG 32 0.547 -13.769 2.066 247 1HG ARG 32 1HG ARG 32 -0.560 -15.511 1.049 248 2HG ARG 32 2HG ARG 32 -2.146 -14.805 1.360 249 1HD ARG 32 1HD ARG 32 -1.808 -14.685 -1.023 250 2HD ARG 32 2HD ARG 32 -1.579 -13.040 -0.413 251 HE ARG 32 HE ARG 32 0.675 -13.188 -1.088 252 1HH1 ARG 32 1HH1 ARG 32 2.180 -15.038 0.124 253 2HH1 ARG 32 2HH1 ARG 32 2.267 -16.437 -0.895 254 1HH2 ARG 32 1HH2 ARG 32 -0.484 -15.543 -2.807 255 2HH2 ARG 32 2HH2 ARG 32 0.759 -16.722 -2.554 256 H LYS 33 H LYS 33 0.229 -11.515 3.798 257 HA LYS 33 HA LYS 33 1.020 -11.868 6.485 258 1HB LYS 33 1HB LYS 33 2.233 -13.857 5.321 259 2HB LYS 33 2HB LYS 33 3.280 -12.622 4.625 260 1HG LYS 33 1HG LYS 33 4.337 -13.367 6.653 261 2HG LYS 33 2HG LYS 33 3.666 -11.771 6.984 262 1HD LYS 33 1HD LYS 33 1.634 -13.718 7.506 263 2HD LYS 33 2HD LYS 33 3.108 -14.226 8.331 264 1HE LYS 33 1HE LYS 33 3.162 -12.348 9.684 265 2HE LYS 33 2HE LYS 33 2.326 -11.343 8.499 266 1HZ LYS 33 1HZ LYS 33 0.540 -13.319 9.148 267 2HZ LYS 33 2HZ LYS 33 1.246 -12.893 10.631 268 3HZ LYS 33 3HZ LYS 33 0.497 -11.703 9.674 269 H ASP 34 H ASP 34 0.461 -9.548 6.090 270 HA ASP 34 HA ASP 34 1.045 -7.312 5.501 271 1HB ASP 34 1HB ASP 34 3.386 -8.626 6.567 272 2HB ASP 34 2HB ASP 34 3.893 -7.617 5.209 273 H VAL 35 H VAL 35 0.485 -9.350 3.484 274 HA VAL 35 HA VAL 35 2.377 -8.925 1.315 275 HB VAL 35 HB VAL 35 -0.264 -10.409 1.509 276 1HG1 VAL 35 1HG1 VAL 35 2.546 -10.961 1.929 277 2HG1 VAL 35 2HG1 VAL 35 1.149 -11.978 2.263 278 3HG1 VAL 35 3HG1 VAL 35 1.900 -11.999 0.663 279 1HG2 VAL 35 1HG2 VAL 35 1.004 -9.298 -0.840 280 2HG2 VAL 35 2HG2 VAL 35 1.080 -11.066 -0.875 281 3HG2 VAL 35 3HG2 VAL 35 -0.474 -10.253 -0.698 282 H TYR 36 H TYR 36 -0.620 -7.449 2.376 283 HA TYR 36 HA TYR 36 -1.060 -6.145 -0.201 284 1HB TYR 36 1HB TYR 36 -2.266 -5.897 2.549 285 2HB TYR 36 2HB TYR 36 -2.738 -4.891 1.201 286 HD1 TYR 36 HD1 TYR 36 -3.502 -6.086 -0.969 287 HD2 TYR 36 HD2 TYR 36 -3.138 -7.975 2.844 288 HE1 TYR 36 HE1 TYR 36 -5.047 -7.881 -1.716 289 HE2 TYR 36 HE2 TYR 36 -4.652 -9.764 2.134 290 HH TYR 36 HH TYR 36 -6.549 -9.986 0.349 291 H VAL 37 H VAL 37 0.401 -5.548 2.901 292 HA VAL 37 HA VAL 37 0.778 -2.699 2.461 293 HB VAL 37 HB VAL 37 1.935 -4.696 4.457 294 1HG1 VAL 37 1HG1 VAL 37 -0.576 -3.886 4.405 295 2HG1 VAL 37 2HG1 VAL 37 0.305 -3.926 5.936 296 3HG1 VAL 37 3HG1 VAL 37 0.097 -2.400 5.081 297 1HG2 VAL 37 1HG2 VAL 37 2.325 -1.699 4.186 298 2HG2 VAL 37 2HG2 VAL 37 2.618 -2.566 5.694 299 3HG2 VAL 37 3HG2 VAL 37 3.571 -2.945 4.259 300 H GLN 38 H GLN 38 2.733 -5.658 2.147 301 HA GLN 38 HA GLN 38 5.122 -4.244 1.270 302 1HB GLN 38 1HB GLN 38 5.400 -6.441 2.256 303 2HB GLN 38 2HB GLN 38 4.226 -7.147 1.151 304 1HG GLN 38 1HG GLN 38 6.097 -7.738 -0.015 305 2HG GLN 38 2HG GLN 38 5.966 -6.092 -0.627 306 2HE2 GLN 38 2HE2 GLN 38 7.088 -7.339 2.563 307 1HE2 GLN 38 1HE2 GLN 38 8.609 -6.581 2.493 308 H LEU 39 H LEU 39 2.542 -6.140 -0.195 309 HA LEU 39 HA LEU 39 3.164 -6.021 -2.929 310 1HB LEU 39 1HB LEU 39 0.585 -6.026 -1.425 311 2HB LEU 39 2HB LEU 39 0.477 -5.502 -3.088 312 HG LEU 39 HG LEU 39 1.942 -8.026 -2.408 313 1HD1 LEU 39 1HD1 LEU 39 -0.456 -8.045 -1.536 314 2HD1 LEU 39 2HD1 LEU 39 -0.975 -7.791 -3.201 315 3HD1 LEU 39 3HD1 LEU 39 -0.102 -9.261 -2.766 316 1HD2 LEU 39 1HD2 LEU 39 0.821 -6.600 -4.803 317 2HD2 LEU 39 2HD2 LEU 39 2.386 -7.403 -4.614 318 3HD2 LEU 39 3HD2 LEU 39 0.925 -8.365 -4.836 319 H TYR 40 H TYR 40 1.231 -3.622 -1.166 320 HA TYR 40 HA TYR 40 0.995 -1.648 -3.069 321 1HB TYR 40 1HB TYR 40 -0.063 -0.767 -1.289 322 2HB TYR 40 2HB TYR 40 0.649 -1.991 -0.274 323 HD1 TYR 40 HD1 TYR 40 1.832 1.177 -1.947 324 HD2 TYR 40 HD2 TYR 40 1.738 -1.265 1.579 325 HE1 TYR 40 HE1 TYR 40 3.188 2.869 -0.736 326 HE2 TYR 40 HE2 TYR 40 3.101 0.417 2.782 327 HH TYR 40 HH TYR 40 4.518 3.150 1.144 328 H LEU 41 H LEU 41 3.652 -1.781 -0.630 329 HA LEU 41 HA LEU 41 5.070 0.416 -1.722 330 1HB LEU 41 1HB LEU 41 5.376 -1.218 0.456 331 2HB LEU 41 2HB LEU 41 6.726 -1.737 -0.549 332 HG LEU 41 HG LEU 41 7.245 0.796 -0.805 333 1HD1 LEU 41 1HD1 LEU 41 7.689 -1.003 1.522 334 2HD1 LEU 41 2HD1 LEU 41 8.861 -0.250 0.440 335 3HD1 LEU 41 3HD1 LEU 41 8.125 0.693 1.737 336 1HD2 LEU 41 1HD2 LEU 41 5.262 0.780 1.495 337 2HD2 LEU 41 2HD2 LEU 41 6.493 2.033 1.334 338 3HD2 LEU 41 3HD2 LEU 41 5.280 1.827 0.073 339 H GLN 42 H GLN 42 4.850 -2.869 -2.845 340 HA GLN 42 HA GLN 42 7.308 -2.838 -4.375 341 1HB GLN 42 1HB GLN 42 5.671 -4.813 -3.532 342 2HB GLN 42 2HB GLN 42 5.123 -4.672 -5.195 343 1HG GLN 42 1HG GLN 42 7.554 -4.848 -5.911 344 2HG GLN 42 2HG GLN 42 7.939 -5.259 -4.236 345 2HE2 GLN 42 2HE2 GLN 42 5.799 -6.304 -6.941 346 1HE2 GLN 42 1HE2 GLN 42 5.793 -7.942 -6.497 347 H HIS 43 H HIS 43 3.913 -2.940 -5.553 348 HA HIS 43 HA HIS 43 4.723 -2.087 -8.223 349 1HB HIS 43 1HB HIS 43 1.894 -1.919 -7.229 350 2HB HIS 43 2HB HIS 43 2.490 -2.416 -8.825 351 HD1 HIS 43 HD1 HIS 43 3.218 -4.888 -9.109 352 HD2 HIS 43 HD2 HIS 43 2.005 -3.912 -5.254 353 HE1 HIS 43 HE1 HIS 43 2.974 -7.085 -7.868 354 H LEU 44 H LEU 44 3.097 -0.652 -5.464 355 HA LEU 44 HA LEU 44 2.752 1.897 -6.864 356 1HB LEU 44 1HB LEU 44 2.241 1.127 -3.987 357 2HB LEU 44 2HB LEU 44 1.761 2.634 -4.741 358 HG LEU 44 HG LEU 44 0.391 0.006 -4.800 359 1HD1 LEU 44 1HD1 LEU 44 -0.204 2.540 -4.302 360 2HD1 LEU 44 2HD1 LEU 44 -0.637 2.536 -6.004 361 3HD1 LEU 44 3HD1 LEU 44 -1.403 1.408 -4.895 362 1HD2 LEU 44 1HD2 LEU 44 1.240 1.250 -7.405 363 2HD2 LEU 44 2HD2 LEU 44 0.762 -0.413 -7.058 364 3HD2 LEU 44 3HD2 LEU 44 -0.462 0.849 -7.231 365 H THR 45 H THR 45 5.186 0.441 -4.835 366 HA THR 45 HA THR 45 7.113 1.404 -3.867 367 HB THR 45 HB THR 45 7.645 3.502 -5.613 368 HG1 THR 45 HG1 THR 45 7.079 2.308 -7.629 369 1HG2 THR 45 1HG2 THR 45 8.233 0.537 -5.677 370 2HG2 THR 45 2HG2 THR 45 8.973 1.663 -6.817 371 3HG2 THR 45 3HG2 THR 45 9.278 1.832 -5.086 372 H ALA 46 H ALA 46 4.412 2.695 -3.186 373 HA ALA 46 HA ALA 46 3.655 4.635 -2.116 374 1HB ALA 46 1HB ALA 46 5.002 4.220 -0.267 375 2HB ALA 46 2HB ALA 46 5.668 5.768 -0.786 376 3HB ALA 46 3HB ALA 46 6.492 4.263 -1.205 377 H ARG 47 H ARG 47 3.902 5.100 -4.643 378 HA ARG 47 HA ARG 47 5.261 6.628 -6.208 379 1HB ARG 47 1HB ARG 47 3.129 8.391 -5.877 380 2HB ARG 47 2HB ARG 47 3.124 6.988 -6.908 381 1HG ARG 47 1HG ARG 47 2.592 6.438 -4.045 382 2HG ARG 47 2HG ARG 47 1.389 7.457 -4.817 383 1HD ARG 47 1HD ARG 47 2.377 4.882 -6.060 384 2HD ARG 47 2HD ARG 47 1.023 4.949 -4.954 385 HE ARG 47 HE ARG 47 0.169 6.752 -6.715 386 1HH1 ARG 47 1HH1 ARG 47 -1.106 4.287 -7.273 387 2HH1 ARG 47 2HH1 ARG 47 -0.489 3.791 -8.815 388 1HH2 ARG 47 1HH2 ARG 47 2.254 5.909 -8.696 389 2HH2 ARG 47 2HH2 ARG 47 1.412 4.708 -9.620 390 H ASN 48 H ASN 48 3.541 8.850 -4.037 391 HA ASN 48 HA ASN 48 5.918 10.602 -4.034 392 1HB ASN 48 1HB ASN 48 3.787 11.471 -2.229 393 2HB ASN 48 2HB ASN 48 4.429 12.265 -3.670 394 2HD2 ASN 48 2HD2 ASN 48 3.854 10.624 -5.719 395 1HD2 ASN 48 1HD2 ASN 48 2.198 10.346 -5.820 396 H ARG 49 H ARG 49 7.399 9.329 -2.801 397 HA ARG 49 HA ARG 49 6.681 8.482 -0.151 398 1HB ARG 49 1HB ARG 49 9.543 8.579 -0.663 399 2HB ARG 49 2HB ARG 49 8.548 7.233 -0.133 400 1HG ARG 49 1HG ARG 49 7.673 7.515 -2.700 401 2HG ARG 49 2HG ARG 49 9.359 7.998 -2.869 402 1HD ARG 49 1HD ARG 49 8.398 5.443 -1.544 403 2HD ARG 49 2HD ARG 49 9.056 5.550 -3.176 404 HE ARG 49 HE ARG 49 11.148 6.521 -1.928 405 1HH1 ARG 49 1HH1 ARG 49 10.556 6.179 0.817 406 2HH1 ARG 49 2HH1 ARG 49 10.991 4.543 1.182 407 1HH2 ARG 49 1HH2 ARG 49 11.015 3.532 -2.135 408 2HH2 ARG 49 2HH2 ARG 49 11.251 3.044 -0.490 409 HA PRO 50 HA PRO 50 9.512 12.102 1.118 410 1HB PRO 50 1HB PRO 50 10.186 13.848 -0.896 411 2HB PRO 50 2HB PRO 50 11.143 12.418 -0.478 412 1HG PRO 50 1HG PRO 50 9.346 12.868 -2.818 413 2HG PRO 50 2HG PRO 50 10.727 11.770 -2.663 414 1HD PRO 50 1HD PRO 50 7.964 11.058 -2.461 415 2HD PRO 50 2HD PRO 50 9.331 10.018 -2.083 416 HA PRO 51 HA PRO 51 5.853 14.688 1.183 417 1HB PRO 51 1HB PRO 51 6.414 15.887 3.594 418 2HB PRO 51 2HB PRO 51 5.687 14.279 3.441 419 1HG PRO 51 1HG PRO 51 8.484 15.024 4.172 420 2HG PRO 51 2HG PRO 51 7.563 13.574 4.599 421 1HD PRO 51 1HD PRO 51 9.539 13.769 2.574 422 2HD PRO 51 2HD PRO 51 8.417 12.416 2.812 423 H LEU 52 H LEU 52 8.906 15.513 0.398 424 HA LEU 52 HA LEU 52 9.928 17.493 -0.343 425 1HB LEU 52 1HB LEU 52 6.990 18.162 -0.516 426 2HB LEU 52 2HB LEU 52 8.225 19.337 -0.967 427 HG LEU 52 HG LEU 52 7.329 17.892 -2.871 428 1HD1 LEU 52 1HD1 LEU 52 7.249 15.778 -1.540 429 2HD1 LEU 52 2HD1 LEU 52 8.200 15.599 -3.016 430 3HD1 LEU 52 3HD1 LEU 52 9.011 15.788 -1.461 431 1HD2 LEU 52 1HD2 LEU 52 9.519 19.115 -2.920 432 2HD2 LEU 52 2HD2 LEU 52 10.301 17.669 -2.282 433 3HD2 LEU 52 3HD2 LEU 52 9.543 17.631 -3.874 434 HA PRO 53 HA PRO 53 9.876 19.361 3.803 435 1HB PRO 53 1HB PRO 53 12.616 19.515 3.968 436 2HB PRO 53 2HB PRO 53 11.685 18.078 4.429 437 1HG PRO 53 1HG PRO 53 13.354 18.547 1.995 438 2HG PRO 53 2HG PRO 53 12.957 17.024 2.803 439 1HD PRO 53 1HD PRO 53 11.751 18.020 0.438 440 2HD PRO 53 2HD PRO 53 11.148 16.676 1.429 441 H ALA 54 H ALA 54 10.456 20.462 0.753 442 HA ALA 54 HA ALA 54 10.572 22.678 -0.046 443 1HB ALA 54 1HB ALA 54 10.923 24.133 2.393 444 2HB ALA 54 2HB ALA 54 9.721 22.867 2.670 445 3HB ALA 54 3HB ALA 54 9.485 24.044 1.373 446 H GLY 55 H GLY 55 12.954 20.982 0.619 447 1HA GLY 55 1HA GLY 55 15.106 22.202 1.808 448 2HA GLY 55 2HA GLY 55 14.962 23.084 0.287 449 H THR 56 H THR 56 13.878 20.552 -1.002 450 HA THR 56 HA THR 56 16.309 19.600 -2.121 451 HB THR 56 HB THR 56 16.521 18.660 0.236 452 HG1 THR 56 HG1 THR 56 17.721 17.381 -0.891 453 1HG2 THR 56 1HG2 THR 56 14.000 18.122 0.288 454 2HG2 THR 56 2HG2 THR 56 14.410 16.704 -0.678 455 3HG2 THR 56 3HG2 THR 56 15.094 16.900 0.937 No H/Q in entry = 455
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